SCHEMBL72704

SCHEMBL72704

O=C(NCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1cc(-c2ccccc2OCc2ccccc2)on1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.46
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SCD5 Q86SK9 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR2 P41597 2/20 0.39

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
SCHEMBL70937 0.88 SCD (0.47) SCDEPHX2CCR2
SCHEMBL29382368 0.87 EPHX2 (0.46) SCDEPHX2ALDH1A1HPGDSCD5
SCHEMBL29385132 0.87 EPHX2 (0.46) SCDEPHX2SCD5RAB9ACCR2
SCHEMBL70288 0.87 EPHX2 (0.46) SCDEPHX2ALDH1A1HPGDSCD5
SCHEMBL68582 0.87 EPHX2 (0.46) SCDEPHX2SCD5RAB9ACCR2
SCHEMBL69757 0.86 SCD5 (0.57) SCDEPHX2HPGDSCD5RAB9A
SCHEMBL29384989 0.86 SCD5 (0.57) SCDEPHX2HPGDSCD5RAB9A
SCHEMBL68819 0.84 SCD (0.53) SCDALDH1A1HPGDKDM4ENPSR1
SCHEMBL70077 0.83 SCD5 (0.49) SCDEPHX2ALDH1A1KDM4ESCD5
SCHEMBL29384505 0.83 SCD5 (0.49) SCDEPHX2ALDH1A1KDM4ESCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed