SCHEMBL7758240

SCHEMBL7758240

O=C(CNCCCCOCc1ccccc1)NCCOCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.51
LTA4H P09960 3/20 0.48
ASAH1 Q13510 1/20 0.47
EPHX2 P34913 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TEAD3 Q99594 1/20 0.41

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
SCHEMBL7758247 0.94 SMN1; SMN2 (0.50) SMN1; SMN2HTTLMNALTA4HASAH1
SCHEMBL12292971 0.87 SMN1; SMN2 (0.59) SMN1; SMN2HTTLMNAASAH1EPHX2
SCHEMBL16620624 0.81 TAAR1 (0.57) SMN1; SMN2HTTLMNAEPHX2KDM4E
SCHEMBL16620502 0.80 TSHR (0.54) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL10585453 0.79 SMN1; SMN2 (0.61) SMN1; SMN2HTTLMNAASAH1KDM4E
SCHEMBL7754370 0.78 GID4 (0.61) MEN1KMT2A
SCHEMBL8760991 0.78 SMN1; SMN2 (0.60) SMN1; SMN2HTTLMNALTA4HASAH1
SCHEMBL3508948 0.78 SMN1; SMN2 (0.62) SMN1; SMN2HTTLMNAASAH1EPHX2
SCHEMBL13033025 0.78 SMN1; SMN2 (0.60) SMN1; SMN2HTTLMNAASAH1KDM4E
SCHEMBL29025356 0.78 EPHX2 (0.57) SMN1; SMN2HTTLMNAEPHX2NPC1

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