SCHEMBL2249346

SCHEMBL2249346

C=C(C)C(O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.63
LMNA P02545 5/20 0.52
MAPK1 P28482 1/20 0.52
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ADRA2C P18825 2/20 0.43
ADRA2A P08913 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
CHRM2 P08172 1/20 0.40
ADRA1A P35348 1/20 0.40
RGS12 O14924 1/20 0.40
GLA P06280 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 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
SCHEMBL12468637 1.00 HPGD (0.63) HPGDLMNAMAPK1CES2CES1
SCHEMBL13849535 1.00 HPGD (0.63) HPGDLMNAMAPK1CES2CES1
SCHEMBL8208706 0.84 TRPA1 (0.50) HPGDLMNAMAPK1KDM4EALDH1A1
Phenylethyl Alcohol SCHEMBL8206256 0.83 TDP1 (0.55) HPGDLMNAMAPK1ALDH1A1CYP3A4
SCHEMBL4882534 0.79 LMNA (0.56) HPGDLMNAMAPK1CES2CES1
SCHEMBL4525849 0.79 LMNA (0.56) HPGDLMNAMAPK1CES2CES1
SCHEMBL4104447 0.78 CYP3A4 (0.47) HPGDLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL2242532 0.78 CYP3A4 (0.47) HPGDLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL18419227 0.78 HPGD (1.00) HPGDLMNAMAPK1CES2CES1
SCHEMBL9806266 0.77 HPGD (0.48) HPGDLMNAKDM4EADRA2CADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109704926-B Anticancer active molecular skeleton 1, 4-eneyne compound and preparation method and application thereof 南京工业大学 2022-02-08 CN claimed
CN-110627693-B Allyl sulfone compound and preparation method and application thereof 南京工业大学 2021-06-04 CN claimed
CN-110627693-A Allyl sulfone compound and preparation method and application thereof 南京工业大学 2019-12-31 CN claimed
EP-1352047-A1 GELS FOR THE TARGETED RELEASE OF ODORIFEROUS SUBSTANCES Henkel Kommanditgesellschaft auf Aktien (DE) 2003-10-15 EP claimed
EP-1294792-A1 ORGANOLEPTICALLY ACTIVE ALCOHOLS BONDED TO BIODEGRADABLE POLYESTER Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-26 EP claimed
EP-1287053-A1 URETHANE BASED ON ORGANOLEPTICALLY ACTIVE AROMATIC ALCOHOLS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-05 EP claimed
WO-2002055648-A1 GELS FOR THE TARGETED RELEASE OF ODORIFEROUS SUBSTANCES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-07-18 WO claimed
US-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 US claimed
WO-2001094442-A1 ORGANOLEPTICALLY ACTIVE ALCOHOLS BONDED TO BIODEGRADABLE POLYESTER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-13 WO claimed
WO-2001094438-A1 URETHANE BASED ON ORGANOLEPTICALLY ACTIVE AROMATIC ALCOHOLS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-13 WO claimed
US-6262287-B1 POLYSILOXANE OLIGOMERS GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 2001-07-17 US claimed
EP-0980863-A1 Oxime carboxylic acid derivatives Givaudan Roure (International) S.A. (CH) 2000-02-23 EP claimed
EP-0953562-A1 Beta, gamma-unsaturated delta-keto esters Givaudan Roure (International) S.A. (CH) 1999-11-03 EP claimed
CN-115594653-B Polysubstituted beta-alkenyl valerolactone compound, preparation method and application 江西力田维康科技有限公司 2024-03-29 CN disclosed
CN-115594653-A Polysubstituted beta-alkenyl valerolactone compound, preparation method and application 西华大学(CN) 2023-01-13 CN disclosed
CN-109704926-B Anticancer active molecular skeleton 1, 4-eneyne compound and preparation method and application thereof 南京工业大学 2022-02-08 CN disclosed
EP-0816322-A1 Fragrance precursors GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP disclosed
US-4687727-A Light-sensitive planographic printing plate with layer of diazo resin containing photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1987-08-18 US disclosed
US-4511645-A ALLYL METHACRYLATE-METHACRYLIC ACID COPOLYMER, CURING AGENT, PHOTOINITIATOR FUJI PHOTO FILM CO., LTD. (JP) 1985-04-16 US disclosed
EP-0104863-A2 Light-sensitive planographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1984-04-04 EP disclosed