SCHEMBL7888682

SCHEMBL7888682

O=P(S)(OO)SCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
HTT P42858 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 4/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL3067247 0.82 TSHR (0.42) HPGDTSHRCA12CA1CA2
SCHEMBL5449665 0.80 TSHR (0.52) HPGDTSHRCA12CA1CA2
SCHEMBL132691 0.79 TSHR (0.50) HPGDTSHRCA12CA1CA2
SCHEMBL7079365 0.79 HPGD (0.45) HPGDTSHRSMN1; SMN2ALPLALPI
SCHEMBL6830707 0.78 HPGD (0.43) HPGDTSHRCA12CA1CA2
SCHEMBL7074455 0.78 HPGD (0.43) HPGDTSHRCA12CA1CA2
SCHEMBL6686597 0.75 HPGD (0.45) HPGDCA12CA1CA2CA9
SCHEMBL3070007 0.75 CA12 (0.41) HPGDCA12CA1CA2CA9
SCHEMBL6681928 0.74 ALPL (0.47) HPGDTSHRCA12CA1CA2
SCHEMBL6831192 0.74 ALPL (0.47) HPGDTSHRCA12CA1CA2

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
US-6172012-B1 LUBRICATING GREASE COMPOSITION COMPRISING TITANIUM ALKOXIDE, CARBOXYLIC ACID, FATTY ACID, WATER, MINERAL OR SYNTHETIC OIL, EXTREME PRESSURE ADDITIVE COMPRISING ZINC DIALKYL DITHIOPHOSPHATE AND SULFURIZED FAT SOLID LUBRICANT INDIAN OIL CORPORATION LIMITED (IN) 2001-01-09 US disclosed