SCHEMBL4550657

SCHEMBL4550657

O=C(O)CSCc1cccc(OCc2ccc(-c3cccc4c3C(=O)CC4=O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
FFAR1 O14842 6/20 0.47
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSTP1 P09211 2/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NR4A2 P43354 1/20 0.39
GRM5 P41594 1/20 0.39
SMPD1 P17405 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HPD P32754 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38

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
SCHEMBL4551151 0.87 CYP1A2 (0.51) CYP1A2FFAR1TSHRSMN1; SMN2GSTP1
SCHEMBL4393122 0.82 CYP1A2 (0.61) CYP1A2FFAR1TSHRSMN1; SMN2PTGER4
SCHEMBL4398280 0.79 GYS1 (0.49) CYP1A2FFAR1TSHRSMN1; SMN2PTGER4
SCHEMBL4391236 0.78 CYP1A2 (0.56) CYP1A2FFAR1TSHRSMN1; SMN2MEN1
SCHEMBL14514269 0.78 CYP1A2 (0.65) CYP1A2FFAR1TSHRSMN1; SMN2MEN1
SCHEMBL4391311 0.78 CYP1A2 (0.58) CYP1A2FFAR1TSHRSMN1; SMN2MEN1
SCHEMBL4392867 0.76 FFAR1 (0.53) CYP1A2FFAR1TSHRSMN1; SMN2MEN1
SCHEMBL4392754 0.76 MAOB (0.52) CYP1A2TSHRPTGER4MEN1POLB
SCHEMBL4392762 0.75 SMPD1 (0.60) CYP1A2FFAR1TSHRSMN1; SMN2SMPD1
SCHEMBL4396609 0.73 SMPD1 (0.55) CYP1A2FFAR1TSHRSMN1; SMN2CYP4F2

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
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP claimed