SCHEMBL6681693

SCHEMBL6681693

O=P(O)(O)SSSCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.41
FDPS P14324 1/20 0.40
LAP3 P28838 3/20 0.39
ANPEP P15144 3/20 0.39
CYP2C19 P33261 1/20 0.39
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39
PTK2B Q14289 1/20 0.39
IDO1 P14902 3/20 0.38
HPGD P15428 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ACP3 P15309 1/20 0.38
ERAP1 Q9NZ08 2/20 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
SCHEMBL6681826 0.88 SMN1; SMN2 (0.45) ALPGSMN1; SMN2ALPLALPIHTT
SCHEMBL3068593 0.77 TSHR (0.42) ALPGSMN1; SMN2ALPLALPIHTT
Dibenzyl Trisulfide SCHEMBL2803113 0.76 IDO1 (0.46) TSHRCYP2C19IDO1NOS3NOS1
SCHEMBL1255779 0.76 IDO1 (0.46) TSHRCYP2C19IDO1NOS3NOS1
SCHEMBL6681928 0.75 ALPL (0.47) ALPGSMN1; SMN2ALPLALPIHTT
SCHEMBL11853076 0.74 IDO1 (0.44) TSHRCYP2C19IDO1NOS3NOS1
SCHEMBL6916072 0.74 IDO1 (0.44) TSHRCYP2C19IDO1NOS3NOS1
SCHEMBL1255808 0.74 IDO1 (0.44) TSHRCYP2C19IDO1NOS3NOS1
SCHEMBL3058775 0.73 TSHR (0.42) ALPGSMN1; SMN2ALPLALPIHTT
SCHEMBL6831164 0.72 CA12 (0.42) ALPGSMN1; SMN2ALPLALPIHTT

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