SCHEMBL9800200

SCHEMBL9800200

O=C(O)OCC(OC(=O)O)C(Sc1nc2ccccc2s1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
ALOX5 P09917 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL10598925 0.93 ALDH1A1 (0.43) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL9181189 0.86 ALDH1A1 (0.49) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL10595487 0.82 MEN1 (0.44) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL9174275 0.82 ALDH1A1 (0.55) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL10598629 0.82 PPARA (0.46) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL10598806 0.81 ALDH1A1 (0.56) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL9256223 0.81 ALDH1A1 (0.56) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL11114226 0.79 POLB (0.55) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL9178355 0.78 HPGD (0.50) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL9799955 0.76 ALDH1A1 (0.49) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10

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-0129506-B1 HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
EP-0128862-B1 ANTI-CORROSIVE COATING COMPOSITION CIBA-GEIGY AG (CH) 1989-03-01 EP disclosed
EP-0183647-B1 ANTI-CORROSIVE AQUEOUS PAINTS CIBA-GEIGY AG (CH) 1989-02-15 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed