SCHEMBL17451235

SCHEMBL17451235

COC(=O)CC(C)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
FFAR1 O14842 1/20 0.50
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47
CNR2 P34972 1/20 0.47
PTGS2 P35354 1/20 0.46
FFAR2 O15552 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
ACHE P22303 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL12268192 1.00 L3MBTL1 (0.50) L3MBTL1FFAR1RAB9AMAPTNPSR1
SCHEMBL27505420 0.84 L3MBTL1 (0.47) L3MBTL1FFAR1RAB9AMAPTNPSR1
SCHEMBL4468082 0.84 FFAR1 (0.49) L3MBTL1FFAR1NPSR1FFAR2KMT2A
SCHEMBL17754960 0.84 RAB9A (0.51) L3MBTL1RAB9AMAPTNPSR1CNR2
SCHEMBL2881396 0.84 ESR1 (0.48) FFAR1RAB9AMAPTALDH1A1HPGD
SCHEMBL13140497 0.84 ESR1 (0.48) FFAR1RAB9AMAPTALDH1A1HPGD
SCHEMBL14567176 0.84 ESR1 (0.48) FFAR1RAB9AMAPTALDH1A1HPGD
SCHEMBL13506383 0.84 GABBR2 (0.50) L3MBTL1RAB9AMAPTCNR2PTGS2
SCHEMBL17875268 0.84 ACHE (0.61) L3MBTL1FFAR1RAB9AMAPTKMT2A
SCHEMBL3519792 0.84 LMNA (0.50) L3MBTL1FFAR1RAB9AMAPTCNR2

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-2977373-B1 METHOD FOR THE CATALYTIC PRODUCTION OF ESTERS EVONIK DEGUSSA GMBH (DE) 2017-10-25 EP disclosed
EP-3037402-B1 METHOD FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-05-17 EP disclosed
EP-3037402-A1 METHOD FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Evonik Degussa GmbH (DE) 2016-06-29 EP disclosed
EP-2977373-A1 METHOD FOR THE CATALYTIC PRODUCTION OF ESTERS Evonik Degussa GmbH (DE) 2016-01-27 EP disclosed