SCHEMBL9443379

SCHEMBL9443379

O=C(O)CCC(CC(CC(CSc1nc2ccccc2s1)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
ALDH1A1 P00352 3/20 0.62
POLB P06746 2/20 0.62
MAPK1 P28482 2/20 0.62
HPGD P15428 2/20 0.62
TSHR P16473 1/20 0.62
HSD17B10 Q99714 1/20 0.62
APEX1 P27695 2/20 0.52
RECQL P46063 2/20 0.52
MAPT P10636 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6064511 0.94 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1POLBMAPK1HPGD
SCHEMBL10597154 0.86 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBMAPK1HPGD
SCHEMBL8972076 0.84 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1POLBMAPK1HPGD
SCHEMBL10892449 0.83 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1POLBMAPK1HPGD
SCHEMBL10890573 0.83 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1POLBMAPK1HPGD
Ammonia Solution, Strong SCHEMBL10597225 0.83 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1POLBMAPK1HPGD
SCHEMBL10890577 0.83 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1POLBMAPK1HPGD
Ammonia Solution, Strong SCHEMBL10895431 0.83 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1POLBMAPK1HPGD
SCHEMBL18797545 0.82 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1POLBMAPK1HPGD
SCHEMBL9811145 0.82 MAPT (0.59) SMN1; SMN2ALDH1A1POLBMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 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
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US 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