SCHEMBL27605437

SCHEMBL27605437

CC(C)(C)c1ccc2c(ccc3ccccc32)c1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.54
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
CYP2A6 P11509 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PAX8 Q06710 1/20 0.41
HIF1A Q16665 4/20 0.40
CYP1B1 Q16678 2/20 0.40
MAPK1 P28482 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
APEX1 P27695 1/20 0.38
PMP22 Q01453 1/20 0.38
HPGD P15428 4/20 0.37
CASP1 P29466 1/20 0.37
RAB9A P51151 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 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
SCHEMBL4124570 0.90 HSD17B10 (0.46) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL15910481 0.88 HSD17B10 (0.44) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL15910482 0.88 HSD17B10 (0.44) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL9624177 0.88 HSD17B10 (0.44) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL2015958 0.80 HPRT1 (0.58) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL285919 0.80 HPRT1 (0.58) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL9465800 0.78 HPRT1 (0.50) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL11954796 0.77 HSD17B10 (0.43) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL22760235 0.77 HSD17B10 (0.42) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL3420318 0.77 ALDH1A1 (0.40) HSD17B10ALDH1A1TSHRCYP2A6TDP1

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-1670043-A Catalyst for polymerization of olefins and its preparation and polymerization method YINGKOU CITY XIANGYANG CATALYS (CN) 2005-09-21 CN disclosed