SCHEMBL7108530

SCHEMBL7108530

COC(=O)/C=C/c1cccc(O)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TTR P02766 1/20 0.49
APP P05067 1/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49

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
SCHEMBL7108533 1.00 MAPT (0.55) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL2933196 0.85 IAPP (0.67) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL2933198 0.85 IAPP (0.67) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL63055 0.84 MAPT (0.65) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL29362833 0.84 MAPT (0.65) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL63054 0.84 MAPT (0.65) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL7109644 0.84 CA1 (0.54) MAPTTTRCA1CA2CA12
SCHEMBL7109649 0.84 CA1 (0.54) MAPTTTRCA1CA2CA12
SCHEMBL10589353 0.82 NFKB1 (0.69) MAPTALDH1A1KDM4EMEN1HPGD
SCHEMBL15524075 0.82 MAOB (0.52) MAPTALDH1A1KDM4EMEN1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
US-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 US disclosed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed