SCHEMBL9305746

SCHEMBL9305746

CCCCc1cc2sc(C(CC(=O)S)C(=O)O)nc2cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.38
SENP8 Q96LD8 7/20 0.38
SENP7 Q9BQF6 7/20 0.38
SENP6 Q9GZR1 7/20 0.38
PPARA Q07869 8/20 0.34
PPARG P37231 7/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
PPARD Q03181 4/20 0.32
PCSK9 Q8NBP7 1/20 0.31
STING1 Q86WV6 2/20 0.31

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
SCHEMBL9305754 0.84 CASP3 (0.35) CASP3SENP8SENP7SENP6PPARA
SCHEMBL9304775 0.77 KMT2A (0.33) AGTR1AGTR2STING1
SCHEMBL9304162 0.76 GAA (0.42) STING1
SCHEMBL9306655 0.76 MEN1 (0.37) AGTR1AGTR2
SCHEMBL9303903 0.76 S1PR1 (0.41) CASP3SENP8SENP7SENP6PPARA
SCHEMBL8973355 0.74 PPARA (0.50) CASP3SENP8SENP7SENP6PPARA
SCHEMBL9305797 0.73 CASP3 (0.36) CASP3SENP8SENP7SENP6AGTR1
SCHEMBL8972395 0.72 RAB9A (0.48)
SCHEMBL9304728 0.72 CASP3 (0.37) CASP3SENP8SENP7SENP6AGTR1
SCHEMBL8972523 0.72 DYRK1A (0.46) PPARA

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 6 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-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed