SCHEMBL4038396

SCHEMBL4038396

c1ccc2c(C3CCCCC3)c(C3CCCCC3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
MPI P34949 1/20 0.39
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3664220 1.00 CYP1B1 (0.43) CYP1B1ALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL30129727 1.00 CYP1B1 (0.43) CYP1B1ALDH1A1HSD17B10CYP1A2CYP2D6
Phosphine SCHEMBL28240896 0.98 CYP1B1 (0.42) CYP1B1ALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL30032791 0.82 SLC6A4 (0.54) CYP1B1ALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL4047901 0.82 SLC6A4 (0.54) CYP1B1ALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL168782 0.82 SLC6A4 (0.54) CYP1B1ALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL21129042 0.81 ACHE (0.35) CYP1B1ALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL497994 0.80 SLC6A4 (0.56) CYP1B1ALDH1A1HSD17B10DRD2SLC6A4
SCHEMBL7648672 0.80 CYP2A6 (0.47) CYP1B1ALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL9473311 0.80 CYP1B1 (0.42) CYP1B1ALDH1A1HSD17B10CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105482244-B A kind of carbon nano-tube/polymer composite material and preparation method thereof 中国石油化工股份有限公司 2019-05-31 CN claimed
CN-109422890-A A kind of composite polypropylene microporous barrier and its preparation method and application 北京师范大学 2019-03-05 CN claimed
CN-107880401-A Linear polypropylene sample and foam and method for producing the same 李长荣化学工业股份有限公司 2018-04-06 CN claimed
CN-107793635-A polypropylene foam and preparation method thereof 李长荣化学工业股份有限公司 2018-03-13 CN claimed
CN-105563976-B A kind of polypropylene self-reinforced composite material and preparation method thereof 中国石油化工股份有限公司 2018-03-02 CN claimed
CN-105566744-B A kind of polypropylene self-reinforced composite material and preparation method thereof 中国石油化工股份有限公司 2018-03-02 CN claimed
CN-101910220-B Coloured polypropylene composition having a high content of beta-modification BOREALIS TECH OY 2013-04-17 CN claimed
CN-101910220-A Coloured polypropylene composition having a high content of beta-modification BOREALIS TECH OY 2010-12-08 CN claimed
EP-1877244-A1 PLASTICS PIPE UPONOR INNOVATION AB (SE) 2008-01-16 EP claimed
WO-2006092567-A1 PLASTICS PIPE UPONOR INNOVATION AB (SE) 2006-09-08 WO claimed
CN-1054763-A Make the method for alkylating aromatic product with alkylation zeolite and dealkylation zeolite MICHELIN RECH TECH (CH) 1991-09-25 CN claimed
JP-4217929-A None JP disclosed
JP-57203032-A None JP disclosed
CN-107304267-B Polypropylene powder and its preparation for selective laser sintering 中国石油化工股份有限公司 2019-11-12 CN disclosed
CN-110382559-A Method for producing stabilized olefin resin composition 株式会社ADEKA 2019-10-25 CN disclosed
EP-0435984-A1 SELECTIVELY CYCLOALKYLATING NAPHTALENE ON ZEOLITES. MICHELIN RECH TECH (CH) 1991-07-10 EP disclosed
EP-0435984-A1 SELECTIVELY CYCLOALKYLATING NAPHTALENE ON ZEOLITES. MICHELIN RECH TECH (CH) 1991-07-10 EP disclosed
WO-1991001959-A1 SELECTIVELY CYCLOALKYLATING NAPHTALENE ON ZEOLITES MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 1991-02-21 WO disclosed
WO-1991001959-A1 SELECTIVELY CYCLOALKYLATING NAPHTALENE ON ZEOLITES MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 1991-02-21 WO disclosed
JP-S57203032-A PREPARATION OF NAPHTHALENEDICARBOXYLIC ACID TORAY IND INC 1982-12-13 JP disclosed