SCHEMBL9694937

SCHEMBL9694937

C=CCc1cc(C)c(O)c(Cn2c(=S)sc3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 3/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL9694765 0.91 ALOX5 (0.42) ALOX5PTGS1PTGS2ALDH1A1HSD17B10
SCHEMBL9694565 0.83 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1
SCHEMBL9694960 0.81 L3MBTL1 (0.42) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1
SCHEMBL9694885 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1
SCHEMBL9694913 0.74 L3MBTL1 (0.39) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1
SCHEMBL9694177 0.72 HSPA5 (0.46) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1
SCHEMBL14572673 0.71 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1
SCHEMBL12376846 0.70 CYP1A2 (0.46) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1
SCHEMBL9694125 0.70 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1
SCHEMBL12376845 0.70 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1

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-5169950-A Reacting a 2-mercaptobenzothiazole, acarbonyl and a phenol; basic catalyst; polar solvent CIBA-GEIGY CORPORATION (US) 1992-12-08 US disclosed
US-5097039-A Coating, lubricants CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
US-5069805-A OIL ADDITIVES CIBA-GEIGY CORPORATION (US) 1991-12-03 US disclosed
EP-0259254-B1 PHENOLIC BENZOTHIAZOLE DERIVATIVES AND THEIR USE AS CORROSION INHIBITORS CIBA-GEIGY AG (CH) 1991-04-17 EP disclosed
US-4894091-A PROTECTIVE COATINGS, PHOTOSTABILIZERS, HEAT RESISTANCE CIBA-GEIGY CORPORATION (US) 1990-01-16 US disclosed
EP-0259254-A1 Phenolic benzothiazole derivatives and their use as corrosion inhibitors CIBA-GEIGY AG (CH) 1988-03-09 EP disclosed