SCHEMBL57808

SCHEMBL57808

O=C=CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ARG2 P78540 1/20 0.40
CALM1 P0DP23 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
TOP1 P11387 1/20 0.37
EPHX2 P34913 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
AKR1B1 P15121 1/20 0.37
IDO1 P14902 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37

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
SCHEMBL861788 0.82 MAOB (0.55) MAOBCA1CA2ARG2CALM1
SCHEMBL4596064 0.76 GPR52 (0.44) MAOBCA1CA2LOXL2
SCHEMBL5699094 0.76 TRPA1 (0.42) MAOBIDO1LOXL2
SCHEMBL7360946 0.76 CYP1A2 (0.44) CYP1A2LOXL2
SCHEMBL7569322 0.76 IDO1 (0.41) CA1CA2CYP1A2IDO1TP53
Allylbenzene SCHEMBL693022 0.76 MAOB (0.48) MAOBCA1CA2ARG2CALM1
SCHEMBL1387883 0.76 ESR1 (0.44) CA2IDO1
SCHEMBL460253 0.75 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL15282878 0.75 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL11349290 0.75 MAOB (0.52) MAOBCA1CA2ARG2CALM1

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 1042 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886839-A Organic semiconductor luminescent compound and application thereof 冠能光电材料(深圳)有限责任公司 2024-04-16 CN claimed
CN-117599843-A Bimetallic molecular sieve and preparation method and application thereof 连云港高晶吕新材料有限公司 2024-02-27 CN claimed
CN-116042316-A Essential oil for improving respiratory tract comfort and bead-explosion essential oil for cigarettes 四川三联新材料有限公司 2023-05-02 CN claimed
EP-4121220-A1 PLASMA COATING TREATMENT METHOD FOR INHIBITING BIOLOGICAL PATHOGEN TRANSFER Molecular Plasma Group SA (LU) 2023-01-25 EP claimed
CN-115433203-A Amine fluorinated curcumenol derivative compound and application and preparation method thereof 华东理工大学 2022-12-06 CN claimed
CN-114773237-A Novel phenylpropenyl hydroximic acid derivatives containing sulfonate structure, and preparation method and application thereof 南京大学 2022-07-22 CN claimed
WO-2021185933-A1 PLASMA COATING TREATMENT METHOD FOR INHIBITING BIOLOGICAL PATHOGEN TRANSFER MOLECULAR PLASMA GROUP S.A. (LU) 2021-09-23 WO claimed
EP-3881942-A1 PLASMA COATING TREATMENT METHOD FOR INHIBITING BIOLOGICAL PATHOGEN TRANSFER Molecular Plasma Group SA (LU) 2021-09-22 EP claimed
CN-113387831-A Amide compound and application thereof in preparation of neuroinflammation inhibitor 苏州大学 2021-09-14 CN claimed
CN-112695549-A Low-temperature soaping agent for printing of reactive dye and preparation method thereof 浙江震东新材料有限公司 2021-04-23 CN claimed
US-5716928-A ADMINISTERING DRUG CONCURRENTLY WITH ESSENTIAL OIL AVMAX, INC. (US) 1998-02-10 US claimed
US-5665386-A Use of essential oils to increase bioavailability of oral pharmaceutical compounds AVMAX, INC. (US) 1997-09-09 US claimed
WO-1996040192-A1 USE OF ESSENTIAL OILS TO INCREASE BIOAVAILABILITY OF ORAL PHARMACEUTICAL COMPOUNDS AVMAX, INC. (US) 1996-12-19 WO claimed
JP-H08509967-A 1996-10-22 JP claimed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP claimed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP claimed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO claimed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO claimed
EP-0564648-A1 NOVEL ACONITINE COMPOUND AND ANALGESIC/ANTIINFLAMMATORY AGENT SANWA SHOYAKU KABUSHIKI KAISHA (JP) 1993-10-13 EP claimed
US-4981847-A Tricyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-01 US claimed