SCHEMBL4950491

SCHEMBL4950491

CCC(=O)c1ccccc1CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
ABCB1 P08183 3/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSP90AB1 P08238 2/20 0.38
PDK2 Q15119 1/20 0.37
FOLH1 Q04609 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL29208097 0.87 ABCB1 (0.43) ALDH1A1TSHRABCB1MAPTSMN1; SMN2
SCHEMBL25925962 0.84 PTPN1 (0.47) GABRA1GABRB2ALDH1A1TSHRKMT2A
SCHEMBL19565679 0.84 HCRTR1 (0.44) TSHRABCB1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2257068 0.82 GABRA1 (0.52) GABRA1GABRB2ALDH1A1TSHRMAPT
SCHEMBL10454822 0.82 GABRA1 (0.44) GABRA1GABRB2ALDH1A1TSHRKMT2A
SCHEMBL943719 0.82 L3MBTL1 (0.45) GABRA1GABRB2ALDH1A1TSHRABCB1
SCHEMBL30402144 0.82 L3MBTL1 (0.45) GABRA1GABRB2ALDH1A1TSHRABCB1
SCHEMBL10825064 0.82 PDK2 (0.45) ALDH1A1TSHRABCB1MAPTSMN1; SMN2
SCHEMBL8702465 0.81 ALDH1A1 (0.50) GABRA1GABRB2ALDH1A1TSHRL3MBTL1
SCHEMBL725761 0.81 GABRA1 (0.50) GABRA1GABRB2ALDH1A1TSHRABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254432-A2 Method of preparing alpha-arylalkanoic esters Mallinckrodt, Inc. (a Delaware corporation) (US) 1988-01-27 EP claimed
JP-57163337-A None JP disclosed
WO-2008074717-A2 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYLPROPANOLS HAVING A PROFEN-LIKE SUBSTITUTED ARYL RESIDUE ALMA MATER STUDIORUM - UNIVERSITA DI BOLOGNA (IT) 2008-06-26 WO disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
EP-0424242-A2 Process for preparing carboxylic acids by means of oxidation of corresponding aldehydes L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1991-04-24 EP disclosed
EP-0254432-A2 Method of preparing alpha-arylalkanoic esters Mallinckrodt, Inc. (a Delaware corporation) (US) 1988-01-27 EP disclosed
EP-0048136-B1 PROCESS FOR PREPARING ALPHA-AROMATIC GROUP SUBSTITUTED ALKANOIC ACIDS OR ESTERS THEREOF SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1986-06-11 EP disclosed
JP-S57163337-A PREPARATION OF PROPIONIC ACID DERIVATIVE KYOWA HAKKO KOGYO CO LTD 1982-10-07 JP disclosed