SCHEMBL7758247

SCHEMBL7758247

O=C(CNCCOCc1ccccc1)NCCCCOCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
EPHX2 P34913 2/20 0.49
LMNA P02545 3/20 0.48
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
LTA4H P09960 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
ASAH1 Q13510 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PSMB11 A5LHX3 1/20 0.43
PSMD11 O00231 1/20 0.43
PSMD12 O00232 1/20 0.43
PSMD14 O00487 1/20 0.43
PSMA7 O14818 1/20 0.43
PSMD3 O43242 1/20 0.43
PSMC3 P17980 1/20 0.43
PSMB1 P20618 1/20 0.43

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
SCHEMBL7758240 0.94 SMN1; SMN2 (0.53) SMN1; SMN2HTTEPHX2LMNAMMP3
SCHEMBL12292971 0.84 SMN1; SMN2 (0.59) SMN1; SMN2HTTEPHX2LMNAASAH1
SCHEMBL16620624 0.84 TAAR1 (0.57) SMN1; SMN2HTTEPHX2LMNAL3MBTL1
SCHEMBL29025356 0.81 EPHX2 (0.57) SMN1; SMN2HTTEPHX2LMNAMMP3
SCHEMBL8099440 0.81 HDAC3 (0.57) HTTEPHX2LMNAMMP3MMP9
SCHEMBL880293 0.81 SMN1; SMN2 (0.55) SMN1; SMN2HTTLMNALTA4HASAH1
SCHEMBL25375626 0.80 LMNA (0.55) SMN1; SMN2HTTEPHX2LMNATRPV1
SCHEMBL7694478 0.80 L3MBTL1 (0.58) SMN1; SMN2HTTEPHX2LMNAMMP3
SCHEMBL21069431 0.78 EPHX2 (0.61) SMN1; SMN2HTTEPHX2LMNAMMP3
SCHEMBL21071040 0.78 EPHX2 (0.61) SMN1; SMN2HTTEPHX2LMNAMMP3

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-0767800-B1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER LAMBERT CO (US) 2001-03-28 EP disclosed