SCHEMBL9543263

SCHEMBL9543263

CCCC(CCC)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.48
TAAR1 Q96RJ0 4/20 0.48
SLC6A2 P23975 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CYP1A2 P05177 1/20 0.46
EPHX1 P07099 1/20 0.46
TP53 P04637 1/20 0.46
TRPA1 O75762 1/20 0.45
SLC18A2 Q05940 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL1047441 0.95 SIGMAR1 (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL15562664 0.92 CSNK1E (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL15562967 0.91 SIGMAR1 (0.49) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL14351937 0.90 CSNK1E (0.54) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL27653268 0.89 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL27984759 0.88 CSNK1E (0.57) SIGMAR1TP53
SCHEMBL28905176 0.87 SIGMAR1 (0.43) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL2846535 0.87 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL14402660 0.87 TRPA1 (0.52) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL9846054 0.87 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4

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-3131965-A1 METHODS OF PREPARING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF USING SAME Valspar Sourcing, Inc. (US) 2017-02-22 EP disclosed
WO-2015160788-A1 METHODS OF PREPARING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF USING SAME VALSPAR SOURCING, INC. (US) 2015-10-22 WO disclosed
WO-1993016996-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-02 WO disclosed
US-4297508-A BY REACTING CARBON DIOXIDE WITH B-NAPHTHOL, AN ALKALI METAL SALT OF B-NAPHTHOL, AND AN ALKYLBENZENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-27 US disclosed