SCHEMBL2647043

SCHEMBL2647043

COC(=O)c1ccc(CC(C(=O)OC)C2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.55
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ CYP2C19 P33261 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP4A11 Q02928 2/20 0.43
▸ CYP4F2 P78329 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL2659503 0.89 EPHX1 (0.55) EPHX1MEN1KMT2APOLBLOXL2
SCHEMBL3519591 0.84 POLB (0.48) EPHX1KMT2APOLBNPC1
SCHEMBL9834170 0.82 EPHX1 (0.56) EPHX1MEN1KMT2APOLBLOXL2
SCHEMBL2650065 0.78 SMN1; SMN2 (0.42) EPHX1MEN1KMT2ALOXL2NPC1
SCHEMBL25333155 0.77 EPHX1 (0.52) EPHX1MEN1KMT2APOLBLOXL2
SCHEMBL25334126 0.76 EPHX1 (0.51) EPHX1MEN1KMT2APOLBLOXL2
SCHEMBL2659242 0.76 LMNA (0.49) EPHX1MEN1KMT2APOLBNPC1
SCHEMBL12764126 0.76 EPHX1 (0.53) EPHX1MEN1KMT2APOLBLOXL2
SCHEMBL20168295 0.76 LOXL2 (0.58) MEN1KMT2ALOXL2NPC1ALDH1A1
SCHEMBL25954315 0.76 EPHX1 (0.53) EPHX1MEN1KMT2APOLBLOXL2

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-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 — — EP disclosed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 — — US disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 — — WO disclosed
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