SCHEMBL9305867

SCHEMBL9305867

CCC(C(=O)O)C(CC)(Sc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
POLB P06746 4/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
ALOX5 P09917 2/20 0.46
HSD17B10 Q99714 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
FBP1 P09467 1/20 0.44

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
SCHEMBL9811190 0.84 MAPT (0.48) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9811172 0.81 SMN1; SMN2 (0.49) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL28565001 0.79 MAPT (0.55) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9811038 0.77 MAPT (0.53) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL29672415 0.75 MAPT (0.50) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9811195 0.75 MAPT (0.50) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9811228 0.75 POLB (0.42) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9306209 0.74 KMT2A (0.48) MAPTALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9305404 0.74 SMN1; SMN2 (0.52) POLBSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6576658 0.74 PPARA (0.67) MAPTPOLBAPEX1RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
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
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0129506-B1 HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP 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-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed