SCHEMBL10595487

SCHEMBL10595487

O=C(O)OCC(OC(=O)O)C(Sc1nc2ccccc2s1)c1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 6/20 0.40
POLB P06746 5/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ALPL P05186 1/20 0.38
ALPG P10696 1/20 0.38
GCGR P47871 1/20 0.38

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 0.86 ALDH1A1 (0.43) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL9800200 0.82 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9305214 0.80 MEN1 (0.47) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL11130994 0.80 MEN1 (0.47) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL10867209 0.80 NPC1 (0.44) KMT2ANPC1RAB9APTPN1ALDH1A1
SCHEMBL9181189 0.78 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9811106 0.75 NPC1 (0.40) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL9174275 0.74 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL10598629 0.74 PPARA (0.46) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL9256223 0.73 ALDH1A1 (0.56) MEN1KMT2ANPC1RAB9AALDH1A1

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 3 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-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed