SCHEMBL9797706

SCHEMBL9797706

CCCCc1cc[c]c(S)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
GPR3 P46089 1/20 0.35
CYP3A4 P08684 3/20 0.34
PTGS2 P35354 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33

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
SCHEMBL11715151 0.93 PTGS2 (0.43) ALDH1A1HSD17B10LPLLIPGGPR3
SCHEMBL9797935 0.88 CNR1 (0.39) CA2LPLLIPG
SCHEMBL1741603 0.80 SKP2 (0.48) SKP2HPGDNPC1MAPK1HTT
SCHEMBL15066937 0.80 SKP2 (0.44) SKP2HPGDNPC1MAPK1HTT
SCHEMBL972794 0.79
SCHEMBL677715 0.78 SKP2 (0.43) SKP2HPGDNPC1MAPK1HTT
SCHEMBL11134188 0.77 NPC1 (0.50) SKP2HPGDNPC1MAPK1HTT
SCHEMBL11030323 0.77 SKP2 (0.42) SKP2HPGDNPC1MAPK1HTT
SCHEMBL6885851 0.77 SKP2 (0.46) SKP2HPGDNPC1MAPK1HTT
SCHEMBL4432930 0.77 SKP2 (0.42) SKP2HPGDNPC1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275501-B1 PROCESS FOR THE PREPARATION OF (Z)-2-(2-ARYLETHENYL)-ARYLCARBOXYLIC ACIDS BASF Aktiengesellschaft (DE) 1991-03-06 EP disclosed
US-4857658-A Preparation of (Z)-2-(2-arylethenyl)arylcarboxylic acids BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0155482-A1 Azo dyestuffs comprising pyridinoisothiazole radicals BASF Aktiengesellschaft (DE) 1985-09-25 EP disclosed
US-4277472-A 3,6-Disubstituted-5,7-(lower alkano)-5,6,7,8-tetrahydropyrido(4,3-C)pyridazines; their intermediates, preparation, antihypertensive use and compositions BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-07-07 US disclosed
EP-0015512-A1 Thiazole dispersion dyestuffs BASF Aktiengesellschaft (DE) 1980-09-17 EP disclosed
US-4207233-A Azo dyes containing a thiazole component BASF AKTIENGESELLSCHAFT (DE) 1980-06-10 US disclosed
US-4108982-A DIURETICS, HYPOTENSIVE AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1978-08-22 US disclosed
US-4093812-A MICROBIOCIDES, DISINFECTANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1978-06-06 US disclosed