SCHEMBL9711192

SCHEMBL9711192

OC(=S)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.61
SRD5A2 P31213 2/20 0.56
FFAR1 O14842 1/20 0.52
TSHR P16473 1/20 0.50
NR1H2 P55055 1/20 0.50
BAX Q07812 1/20 0.50
NR3C1 P04150 1/20 0.49
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
EPHX2 P34913 3/20 0.45
FAAH O00519 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 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
SCHEMBL11537202 0.84 LTA4H (0.50) LTA4HSRD5A2EPHX2FAAHALDH1A1
SCHEMBL11089989 0.83 CYP19A1 (0.50) LTA4HSRD5A2GAAALDH1A1LMNA
SCHEMBL1096270 0.79 CES1 (0.55) TSHRGAAKMT2AMEN1POLB
SCHEMBL9252738 0.79 LTA4H (0.61) LTA4HSRD5A2FFAR1TSHRNR1H2
SCHEMBL1145770 0.79 SRD5A2 (0.83) LTA4HSRD5A2FFAR1TSHRNR3C1
SCHEMBL16755611 0.77 LTA4H (0.69) LTA4HSRD5A2FFAR1TSHRNR1H2
SCHEMBL1082295 0.77 LTA4H (0.69) LTA4HSRD5A2FFAR1TSHRNR1H2
SCHEMBL2273408 0.77 ALDH1A1 (0.55) LTA4HGAAKMT2APOLBCA1
SCHEMBL13673488 0.76 LTA4H (0.57) LTA4HSRD5A2FFAR1TSHRNR1H2
SCHEMBL850542 0.76 SRD5A2 (0.62) LTA4HSRD5A2FFAR1NR3C1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153227-A Treatment of diabetes and galactosemia complications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed
EP-0304190-B1 (ARYLSULPHONYL)NITROMETHANES, PROCESS FOR THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
EP-0304190-A1 (Arylsulphonyl)nitromethanes, process for their preparation and use in pharmaceutical compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP disclosed