SCHEMBL9307859

SCHEMBL9307859

Cc1cc(Cl)cc2sc(SC(CC(=O)O)C(=O)O)nc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.48
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PRKCZ Q05513 1/20 0.40
PPARG P37231 4/20 0.39
PPARD Q03181 2/20 0.39
F2RL3 Q96RI0 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8972429 0.78 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL9304174 0.78 PPARA (0.52) PPARAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL9305733 0.76 PPARA (0.43) PPARAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL757236 0.76 PPARA (0.76) PPARA
SCHEMBL10761753 0.75 F2RL3 (0.44) PPARAKDM4EALDH1A1F2RL3NPC1
SCHEMBL10891396 0.74 PRKCZ (0.40) PPARAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL8972533 0.73 PPARA (0.59) PPARAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL9307203 0.73 ALDH1A1 (0.49) PPARAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL10761749 0.73 F2RL3 (0.39) PPARAF2RL3NPC1RAB9A
SCHEMBL9307865 0.72 NPC1 (0.39) PRKCZF2RL3NPC1RAB9A

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 7 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-4612378-A Process for the preparation of β-(benzothiazolylthio)- and β-(benzimidazolylthio-carboxylic acids CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed