SCHEMBL2500500

SCHEMBL2500500

COCc1[c]ccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP2A6 P11509 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.33
HPRT1 P00492 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
AKR1B1 P15121 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1B P28222 3/20 0.31
HTR1D P28221 2/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL2497729 0.82 MAPT (0.34) MAPTTDP1CYP2A6ALDH1A1TSHR
SCHEMBL2500425 0.82 HPGD (0.34) MAPTTDP1CYP2A6ALDH1A1TSHR
SCHEMBL455640 0.79 CYP2A6 (0.39) TDP1CYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL808527 0.76 ALDH1A1 (0.40) TDP1CYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL1262323 0.75 ALDH1A1 (0.39) TDP1CYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL9467597 0.75 L3MBTL1 (0.42) MAPTTDP1CYP2A6ALDH1A1TSHR
SCHEMBL17848817 0.75 HSD17B10 (0.39) MAPTTDP1CYP2A6ALDH1A1TSHR
SCHEMBL5397995 0.75 CYP2A6 (0.39) TDP1CYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL4629871 0.74 ELANE (0.35) MAPTTDP1CYP2A6ALDH1A1TSHR
SCHEMBL2252836 0.73 GAA (0.39) MAPTTDP1ALDH1A1CYP1A2CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573998-B Olefin polymerization catalyst and process for producing olefin polymer 日本聚乙烯株式会社 2021-10-12 CN disclosed
CN-107075005-B Method for producing ethylene ionomer, and ethylene ionomer 日本聚乙烯株式会社 2020-07-10 CN disclosed
US-8497334-B2 Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-30 US disclosed
US-20110245407-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed
CN-102206305-A Conjugated diene polymer,conjugated diene polymei composition, and method for producing conjugated diene polymer SUMITOMO CO LTD 2011-10-05 CN disclosed