SCHEMBL3660554

SCHEMBL3660554

O=C(NC1CCC1)c1cccc(O)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
RAB9A P51151 4/20 0.63
NPC1 O15118 4/20 0.63
GRM5 P41594 4/20 0.61
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GFER P55789 1/20 0.58
HSD17B10 Q99714 1/20 0.58
PKM P14618 1/20 0.58
KDM1A O60341 1/20 0.57
MLLT1 Q03111 2/20 0.56
ERN1 O75460 1/20 0.56
MLLT3 P42568 1/20 0.56
MCHR1 Q99705 1/20 0.56
EGLN2 Q96KS0 1/20 0.56
HPGD P15428 1/20 0.55
HTR2B P41595 1/20 0.55
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL26413302 0.95 RAB9A (0.70) L3MBTL1RAB9ANPC1GRM5KDM4E
SCHEMBL3658943 0.93 NPC1 (0.60) L3MBTL1RAB9ANPC1GRM5KDM4E
SCHEMBL27748372 0.85 L3MBTL1 (0.67) L3MBTL1RAB9ANPC1GRM5KDM4E
SCHEMBL9265040 0.84 RAB9A (0.79) L3MBTL1RAB9ANPC1GRM5KDM4E
SCHEMBL6707186 0.84 RAB9A (0.79) L3MBTL1RAB9ANPC1GRM5KDM4E
SCHEMBL18175978 0.82 L3MBTL1 (0.63) L3MBTL1RAB9ANPC1GRM5KDM4E
SCHEMBL29818202 0.82 L3MBTL1 (0.63) L3MBTL1RAB9ANPC1GRM5KDM4E
SCHEMBL10210732 0.82 NPC1 (0.51) L3MBTL1RAB9ANPC1GRM5KDM4E
SCHEMBL27177195 0.81 USP30 (0.56) L3MBTL1RAB9ANPC1GRM5PKM
SCHEMBL2316588 0.80 NPC1 (0.68) L3MBTL1RAB9ANPC1GRM5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed