SCHEMBL6681829

SCHEMBL6681829

OP(=S)(S)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
TSHR P16473 3/20 0.42
IDO1 P14902 2/20 0.42
CALM1 P0DP23 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
FDPS P14324 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
LAP3 P28838 3/20 0.38
ANPEP P15144 1/20 0.38
THRB P10828 1/20 0.37
EPHX2 P34913 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 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
SCHEMBL6310524 0.82 HPGD (0.48) HPGDTSHRIDO1CALM1FDPS
SCHEMBL10904875 0.80 PTPN1 (0.46) HPGD
SCHEMBL8854136 0.79 TSHR (0.52) HPGDTSHRCA12CA1CA2
SCHEMBL6681698 0.79 IDO1 (0.46) HPGDTSHRIDO1CALM1TDP1
SCHEMBL6306380 0.78 LAP3 (0.43) HPGDTSHRCA12CA1CA2
SCHEMBL6830628 0.78 HPGD (0.41) HPGDTSHRIDO1CALM1CA12
SCHEMBL3072609 0.76 HPGD (0.43) HPGDTSHRIDO1CALM1CA12
SCHEMBL3069833 0.76 HPGD (0.43) HPGDTSHRCALM1CA12CA1
SCHEMBL3074670 0.76 HPGD (0.43) HPGDTSHRCALM1CA12CA1
SCHEMBL1486407 0.76 HPGD (0.46) HPGDTSHRIDO1CALM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed