SCHEMBL6686597

SCHEMBL6686597

O=P(S)(Cc1ccccc1)SCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 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
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PRMT1 Q99873 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
SCHEMBL6830707 0.83 HPGD (0.43) HPGDCTSLCTSBCA12CA1
SCHEMBL7074455 0.83 HPGD (0.43) HPGDCTSLCTSBCA12CA1
SCHEMBL3070007 0.79 CA12 (0.41) HPGDCTSLCTSBCA12CA1
SCHEMBL7079365 0.79 HPGD (0.45) HPGDALPLALPIALPGHTT
SCHEMBL6684403 0.78 HPGD (0.48) HPGDCA12CA1CA2CA9
SCHEMBL3071085 0.75 CA12 (0.38) HPGDCTSLCTSBCA12CA1
SCHEMBL7888682 0.75 HPGD (0.41) HPGDCTSLCTSBCA12CA1
SCHEMBL3081281 0.74 CA12 (0.41) HPGDCTSLCTSBCA12CA1
SCHEMBL6831192 0.74 ALPL (0.47) HPGDCTSLCTSBCA12CA1
SCHEMBL6681928 0.74 ALPL (0.47) HPGDCTSLCTSBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
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
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed