SCHEMBL5319263

SCHEMBL5319263

C=CC(=O)Cc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
CAMK2A Q9UQM7 2/20 0.56
ABAT P80404 2/20 0.54
ALDH5A1 P51649 1/20 0.54
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
CTBP2 P56545 1/20 0.46
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SHBG P04278 1/20 0.44
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
MAOB P27338 1/20 0.41
PTGS2 P35354 1/20 0.41
GLO1 Q04760 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 2/20 0.40
SENP1 Q9P0U3 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18220786 0.86 ESR1 (0.52) CA2CAMK2AABATALDH5A1FNTA
SCHEMBL14889158 0.84 LMNA (0.48) LMNATHRBMEN1KMT2ATHRA
SCHEMBL1399175 0.81 SMN1; SMN2 (0.56) CTBP2RAB9ALMNAKMT2A
SCHEMBL13000434 0.81 CTBP2 (0.47) CTBP2NPC1RAB9ALMNATHRB
SCHEMBL13727493 0.80 CA2 (0.58) CA2CAMK2AABATALDH5A1FNTA
SCHEMBL669706 0.80 CES1 (0.56) FNTAFNTBCTBP2AKR1B1LMNA
SCHEMBL15272414 0.79 ESR1 (0.50) CA2CAMK2AABATALDH5A1ESR1
SCHEMBL8825675 0.79 ALDH1A1 (0.50) CA2PTGS2THRBMEN1KMT2A
Ammonia Solution, Strong SCHEMBL11111905 0.78 CES1 (0.54) FNTAFNTBCTBP2AKR1B1LMNA
SCHEMBL30175894 0.78 KDM4E (0.60) CA2PTGS2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114870894-B Nickel-based catalyst derived from self-supporting layered double hydroxide, and preparation method and application thereof 浙江新化化工股份有限公司 2023-11-03 CN claimed
CN-114634465-A Sulfonyl piperazine-containing pentadiene ketone derivative and preparation method and application thereof 贵州大学 2022-06-17 CN claimed
CN-109678689-B Method for preparing raspberry ketone under supercritical condition 浙江新和成股份有限公司 2022-02-01 CN claimed
CN-104628726-B The synthetic method of purine-containing pentadienone analog derivative and application 贵州大学 2016-08-24 CN claimed
WO-2007083071-A2 PROCESS FOR PREPARING A PRECURSOR OF AN AROMATIC COMPOUND BY BIOSYNTHESIS INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE - INRA (FR) 2007-07-26 WO claimed
CN-114870894-B Nickel-based catalyst derived from self-supporting layered double hydroxide, and preparation method and application thereof 浙江新化化工股份有限公司 2023-11-03 CN disclosed
CN-114870894-A Self-supporting layered double hydroxide derived nickel-based catalyst and preparation method and application thereof 浙江新化化工股份有限公司 2022-08-09 CN disclosed
CN-114634465-A Sulfonyl piperazine-containing pentadiene ketone derivative and preparation method and application thereof 贵州大学 2022-06-17 CN disclosed
CN-109678689-B Method for preparing raspberry ketone under supercritical condition 浙江新和成股份有限公司 2022-02-01 CN disclosed
CN-109678689-B Method for preparing raspberry ketone under supercritical condition 浙江新和成股份有限公司 2022-02-01 CN disclosed
US-11230721-B2 Production of a flavour compound in a host cell AXXENCE AROMATIC GMBH (DE) 2022-01-25 US disclosed
US-20200392544-A1 Production of a flavour compound in a host cell AXXENCE HOLDING B.V. (NL) 2020-12-17 US disclosed
CN-107056687-A The ketoxime ester compound of 1,4 pentadiene 3, Preparation method and use containing pyridine groups 贵州大学 2017-08-18 CN disclosed
CN-105176942-A Polyketide synthase RinPKS1 derived from raspberry and related biomaterials and application thereof UNIV BEIJING AGRICULT 2015-12-23 CN disclosed
CN-101942425-B Enzyme related to benzalacetone synthesis, coding gene and application thereof UNIV BEIJING AGRICULT 2012-06-20 CN disclosed
CN-101942425-A Enzyme related to benzalacetone synthesis, coding gene and application thereof UNIV BEIJING AGRICULT 2011-01-12 CN disclosed
WO-2007083071-A2 PROCESS FOR PREPARING A PRECURSOR OF AN AROMATIC COMPOUND BY BIOSYNTHESIS INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE - INRA (FR) 2007-07-26 WO disclosed
US-5097375-A CONTAINER WITH RECORDING MEDIUM AND HAVING A FRAGRANCE EMITTING MATERIAL BASF AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
US-5097376-A CONTAINER WITH RECORDING MEDIUM HAVING FRAGRANCE MATERIAL IN OR ON THE RECORDING MEDIUM BASF AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
EP-0386584-A1 Container with data carrier BASF Aktiengesellschaft (DE) 1990-09-12 EP disclosed