SCHEMBL9305957

SCHEMBL9305957

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 3/20 0.54
TSHR P16473 2/20 0.54
USP2 O75604 1/20 0.54
POLB P06746 3/20 0.52
MAPT P10636 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
CYP1A2 P05177 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
ALOX15 P16050 2/20 0.50
CYP2C9 P11712 1/20 0.50
KDM4E B2RXH2 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
PPARA Q07869 2/20 0.48
FBP1 P09467 2/20 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
SCHEMBL9811034 0.90 POLB (0.55) HSD17B10LMNAMAPK1TSHRUSP2
SCHEMBL8972389 0.88 HSD17B10 (0.51) HSD17B10LMNAMAPK1TSHRUSP2
SCHEMBL8971947 0.87 HSD17B10 (0.53) HSD17B10LMNAMAPK1TSHRUSP2
SCHEMBL9443186 0.87 HSD17B10 (0.50) HSD17B10LMNAMAPK1TSHRUSP2
SCHEMBL9305116 0.86 POLB (0.49) HSD17B10LMNAMAPK1TSHRUSP2
SCHEMBL717957 0.85 LMNA (0.63) HSD17B10LMNAMAPK1TSHRUSP2
SCHEMBL8972732 0.83 POLB (0.58) HSD17B10LMNAMAPK1TSHRUSP2
SCHEMBL9811169 0.82 MAPT (0.58) HSD17B10MAPK1TSHRPOLBMAPT
SCHEMBL10643623 0.81 LMNA (0.53) HSD17B10LMNAMAPK1TSHRUSP2
SCHEMBL9811194 0.81 LMNA (0.51) HSD17B10LMNAMAPK1TSHRUSP2

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 13 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-4696763-A PAINTS, BLENDS CIBA-GEIGY CORPORATION (US) 1987-09-29 US 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