SCHEMBL2933697

SCHEMBL2933697

CC(C)Cc1ccc2c(c1)Cc1cc(CC(C)C)ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP17A1 P05093 1/20 0.36

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
SCHEMBL28051884 0.88 GABRA1 (0.46) GABRA1GABRB2TSHRALDH1A1ATM
SCHEMBL15525201 0.82 GABRA1 (0.36) GABRA1GABRB2TSHRALDH1A1ATM
SCHEMBL18639799 0.81 GABRA1 (0.35) GABRA1GABRB2TSHRALDH1A1ATM
SCHEMBL23570446 0.79 GABRA1 (0.42) GABRA1GABRB2TSHRKMT2AMAPT
SCHEMBL22310130 0.78 TSHR (0.54) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL16245884 0.78 GABRA1 (0.44) GABRA1GABRB2ALDH1A1RAB9ANPC1
SCHEMBL17229355 0.76 GABRA1 (0.43) GABRA1GABRB2KMT2AMAPTCYP2C9
SCHEMBL19601665 0.76 GABRA1 (0.43) GABRA1GABRB2TSHRALDH1A1KMT2A
SCHEMBL27775805 0.76 METAP1 (0.41) TSHRALDH1A1ATMNPSR1KMT2A
SCHEMBL4894905 0.76 ALDH1A1 (0.46) TSHRALDH1A1ATMNPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411067-B1 POLYMER HAVING UNIQUE OPTICAL PROPERTY JAPAN SCIENCE & TECH AGENCY (JP) 2010-09-22 EP disclosed
US-7323538-B2 Polymer having unique optical property and polymerizable monomer therefor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-01-29 US disclosed
US-20040132963-A1 Polymer having unique optical property and polymerizable monomer therefor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-07-08 US disclosed
EP-1411067-A1 POLYMER HAVING UNIQUE OPTICAL PROPERTY AND POLYMERIZABLE MONOMER THEREFOR Japan Science and Technology Corporation (JP) 2004-04-21 EP disclosed