SCHEMBL8972078

SCHEMBL8972078

CC(C)c1cccc2sc(C(CC(=O)S)C(=O)O)nc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
SLC9A1 P19634 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
DYRK1A Q13627 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL8972769 0.82 GAA (0.45) MAPTHPGDALDH1A1SMN1; SMN2PKM
SCHEMBL8972091 0.81 POLB (0.35) POLBMAPTRECQLSLC9A1SMN1; SMN2
SCHEMBL9305750 0.81 L3MBTL1 (0.32) POLBMAPTCYP1A2CYP2C9HPGD
SCHEMBL9307532 0.80 LIPG (0.40) MAPTSLC9A1CYP1A2CYP2C9HPGD
SCHEMBL8972082 0.79 GABRA1 (0.31) POLBMAPTRECQLCYP1A2HPGD
SCHEMBL1041921 0.76 PKM (0.36) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL9443095 0.76 CD38 (0.37) POLBHPGDHSD17B10ALDH1A1
SCHEMBL21462955 0.76 TLR8 (0.40) MAPTSLC9A1CYP1A2HPGDHIF1A
SCHEMBL402775 0.76 HPGD (0.55) POLBRECQLCYP1A2CYP2C9HPGD
Methylamine SCHEMBL10867351 0.75 HPGD (0.51) CYP1A2CYP2C9HPGDCYP2C19HIF1A

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-5549847-A STIRRING A FILTER CAKE OF CORROSION INHIBITOR WITH DISPERSANT AND THICKENER; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
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