SCHEMBL10596036

SCHEMBL10596036

O=C(O)OCCC(CC(CC(CSc1nc2ccccc2s1)OC(=O)O)OC(=O)O)OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 2/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APEX1 P27695 2/20 0.47
RECQL P46063 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.44
ALOX5 P09917 5/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL9175312 0.94 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDPOLBMAPK1
SCHEMBL10597158 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDPOLBMAPK1
SCHEMBL9175427 0.85 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2HPGDPOLBMAPK1
SCHEMBL9179930 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDPOLBMAPK1
SCHEMBL10866310 0.77 KMT2A (0.49) ALDH1A1SMN1; SMN2POLBMAPTKMT2A
SCHEMBL10866513 0.77 KMT2A (0.46) ALDH1A1SMN1; SMN2HPGDPOLBMAPK1
SCHEMBL9174275 0.77 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDPOLBMAPK1
SCHEMBL11111617 0.76 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HPGDPOLBMAPK1
SCHEMBL9811102 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDPOLBMAPK1
SCHEMBL10358073 0.75 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDPOLBMAPK1

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-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-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed