SCHEMBL4759652

SCHEMBL4759652

CN(C)CCC(=O)c1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
STAT6 P42226 1/20 0.53
KMT2A Q03164 2/20 0.46
HPGD P15428 4/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HMGB1 P09429 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
NAPRT Q6XQN6 1/20 0.45

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
SCHEMBL31211720 0.82 CYP19A1 (0.66) CYP19A1ALDH1A1HSD17B10KMT2AHPGD
SCHEMBL15969455 0.81 CTNNB1 (0.53) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL29519213 0.80 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL12185229 0.80 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL955792 0.80 CTNNB1 (0.51) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL30200290 0.80 CTNNB1 (0.51) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL3408419 0.80 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1463756 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL26011930 0.79 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL289555 0.79 CYP19A1 (0.58) CYP19A1ALDH1A1HSD17B10KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909788-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2008-04-16 EP disclosed
WO-2007016525-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2007-02-08 WO disclosed
US-4364949-A BACTERICIDE, FUNGICIDE CIBA-GEIGY CORPORATION (US) 1982-12-21 US disclosed
EP-0031795-A1 Hydroxyphenyl ketones CIBA-GEIGY AG (CH) 1981-07-08 EP disclosed