SCHEMBL15434243

SCHEMBL15434243

CC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cc2c(cc1-3)[nH]c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.46
PGR P06401 1/20 0.42
KIF11 P52732 11/20 0.41
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GPR3 P46089 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 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
SCHEMBL15434241 0.94 AHR (0.46) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL31619 0.91 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL29520180 0.91 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL29438560 0.91 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL31680 0.85 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL29506376 0.85 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL15413860 0.85 AHR (0.39) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL21942156 0.85 AHR (0.45) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL17992160 0.84 AHR (0.44) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL18553288 0.84 AHR (0.47) AHRPGRKIF11ALDH1A1HSD17B10

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
WO-2014010910-A1 COMPOUND, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산하이메탈(주) (KR) 2014-01-16 WO disclosed