SCHEMBL9614586

SCHEMBL9614586

CC(Cl)Cc1cccc(CC(C)Cl)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
SLC6A2 P23975 2/20 0.30
TAAR1 Q96RJ0 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CYP2A6 P11509 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL15954948 0.79 GABRA1 (0.42) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL9466697 0.77 CA2 (0.36) GABRA1GABRB2
SCHEMBL673323 0.77 GABRA1 (0.41) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL672659 0.76 GABRA1 (0.41) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL28301638 0.74 GABRA1 (0.68) GABRA1GABRB2SLC6A2TAAR1
SCHEMBL23773024 0.73 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL19940597 0.70 GABRA1 (0.56) GABRA1GABRB2TAAR1
SCHEMBL6683031 0.70 SLC6A2 (0.52) SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL9466210 0.69 GABRA1 (0.40) GABRA1GABRB2TAAR1
SCHEMBL2331835 0.69 CYP1A2 (0.50) SLC6A4SIGMAR1

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
US-5149743-A Contacting halostyrene monomer with inifer THE UNIVERSITY OF AKRON (US) 1992-09-22 US claimed
EP-0468041-A4 HALOGEN TERMINATED POLY(HALOSTYRENES) AND A PROCESS FOR THE PREPARATION THEREOF 1992-07-22 EP claimed
EP-0468041-A1 HALOGEN TERMINATED POLY(HALOSTYRENES) AND A PROCESS FOR THE PREPARATION THEREOF The University of Akron (US) 1992-01-29 EP claimed
WO-1991012281-A1 HALOGEN TERMINATED POLY(HALOSTYRENES) AND A PROCESS FOR THE PREPARATION THEREOF THE UNIVERSITY OF AKRON (US) 1991-08-22 WO claimed