SCHEMBL9306467

SCHEMBL9306467

CC(C)(C)CC(C)(C)c1ccc2nc(C(CC(=O)O)C(O)=S)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.38
PPARA Q07869 1/20 0.37
DYRK1A Q13627 1/20 0.34
PKM P14618 1/20 0.34
ACP1 P24666 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CLK1 P49759 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
LIPG Q9Y5X9 3/20 0.33
LIPC P11150 2/20 0.32
PRKCZ Q05513 1/20 0.32

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
SCHEMBL9306457 0.91 CSNK1D (0.35) CSNK1DPPARADYRK1AACP1ALDH1A1
SCHEMBL9306454 0.83 CSNK1D (0.39) CSNK1DPPARADYRK1AACP1ALDH1A1
SCHEMBL9443228 0.79 PKM (0.46) CSNK1DPKMALDH1A1
SCHEMBL9443182 0.79 ALDH1A1 (0.55) CSNK1DACP1ALDH1A1CLK1
SCHEMBL8972422 0.78 RAB9A (0.47) PKMALDH1A1
SCHEMBL8973284 0.78 MEN1 (0.44) PKMALDH1A1LIPG
SCHEMBL8972435 0.78 AKR1B1 (0.44) PPARADYRK1AACP1ALDH1A1CASP3
SCHEMBL9443152 0.77 LDHA (0.43) CASP3SENP8SENP7SENP6LIPG
SCHEMBL8973017 0.77 PKM (0.51) CSNK1DDYRK1APKMALDH1A1
SCHEMBL9305802 0.76 HDAC4 (0.36) PRKCZ

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