SCHEMBL29633335

SCHEMBL29633335

CCCCc1c(CC)cc2ccccc2c1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.45
ATM Q13315 1/20 0.44
MAPT P10636 1/20 0.43
TLR8 Q9NR97 2/20 0.43
GPR84 Q9NQS5 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTR2A P28223 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SCN3A Q9NY46 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL28810528 0.87 MAPT (0.51) NCEH1ATMMAPTTLR8GPR84
SCHEMBL11590172 0.86 TLR8 (0.49) NCEH1ATMMAPTTLR8GPR84
SCHEMBL2126142 0.86 HTR2A (0.47) NCEH1ATMMAPTGPR84KDM4E
SCHEMBL9194974 0.84 HTR2A (0.45) NCEH1ATMMAPTGPR84KDM4E
Lithium SCHEMBL9194981 0.84 HTR2A (0.45) NCEH1ATMMAPTGPR84KDM4E
SCHEMBL9165624 0.83 ATM (0.50) NCEH1ATMMAPTGPR84KDM4E
SCHEMBL2126035 0.82 ATM (0.41) NCEH1ATMMAPTGPR84KDM4E
SCHEMBL7915017 0.82 HTR2A (0.52) NCEH1ATMMAPTTLR8KDM4E
SCHEMBL28736396 0.81 TDP1 (0.43) NCEH1ATMMAPTTLR8GPR84
SCHEMBL7532153 0.81 TLR8 (0.50) NCEH1MAPTTLR8KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111303318-B Functionalized polymer, rubber composition and pneumatic tire 固特异轮胎和橡胶公司 2022-05-13 CN disclosed