SCHEMBL7995729

SCHEMBL7995729

CC(C)C(O)(c1ccccc1)C(c1ccccc1)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.53
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
TTR P02766 1/20 0.38
KCNH2 Q12809 1/20 0.37
GRIN1 Q05586 6/20 0.37
GRIN2A Q12879 6/20 0.37
GRIN2D O15399 5/20 0.37
GRIN2C Q14957 5/20 0.37
GRIN2B Q13224 4/20 0.37
AOC3 Q16853 1/20 0.37

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
Propionic Acid SCHEMBL11785368 0.89 OPRM1 (0.46) KCNA5ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL9723670 0.78 CYP2D6 (0.48) ALDH1A1KDM4EMEN1KMT2ACRHBP
SCHEMBL10539701 0.75 KCNA5 (0.51) KCNA5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18911440 0.70 LMNA (0.44) ALDH1A1MEN1KMT2ACYP2C19MAPT
SCHEMBL14663983 0.70 KCNA5 (0.46) KCNA5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9320598 0.70 KCNA5 (0.46) KCNA5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8907881 0.70 KCNA5 (0.46) KCNA5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL616297 0.68 MAPT (0.49) KCNA5KDM4EKMT2ACYP2D6MAPT
SCHEMBL6579332 0.68 KCNA5 (0.45) KCNA5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6579342 0.68 KCNA5 (0.45) KCNA5ALDH1A1KDM4EMEN1KMT2A

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
EP-0873298-A4 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMA INC (US) 2000-05-17 EP disclosed
EP-0873298-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
US-5648541-A FORMING ENANTIOMERS FROM IMINES BY REDUCTION WITH LITHIUM ALUMINUM HYDRIDE NPS PHARMACEUTICALS, INC. (US) 1997-07-15 US disclosed
WO-1997011934-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed
US-5284975-A Method of preparing α-d-phenylalkylbenzyl carbinol MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1994-02-08 US disclosed
US-5132457-A Stereospecific synthesis of 2(R)-2-methyl-3-dimethylamino-propiophenone (d-DAMP) MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1992-07-21 US disclosed
EP-0044984-A1 Process for the optical resolution of mixtures of d- and l-2-(6-methoxy-2-naphthyl)-propionic acids, the cinchonidine salt of d-2-(6-methoxy-2-naphthyl)-propionic acid and the preparation thereof ALFA FARMACEUTICI S.p.A. (IT) 1982-02-03 EP disclosed