SCHEMBL11307754

SCHEMBL11307754

CC(=O)Nc1cccc(OCC=C(C)CO)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
AHR P35869 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 5/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HCRTR1 O43613 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL11307749 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AAHRMEN1
SCHEMBL11258785 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AAHRMEN1
SCHEMBL11258791 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AAHRMEN1
SCHEMBL29955509 0.83 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AAHRMEN1
SCHEMBL11290866 0.83 HTT (0.71) RAB9AMEN1KMT2AHTTMAPT
SCHEMBL11289450 0.82 MTNR1A (0.38) SMN1; SMN2NPC1RAB9AAHRKMT2A
SCHEMBL11286575 0.82 MTNR1A (0.38) SMN1; SMN2NPC1RAB9AAHRKMT2A
SCHEMBL4980566 0.82 GAA (0.64) SMN1; SMN2NPC1RAB9AAHRMEN1
SCHEMBL11546092 0.79 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AAHRMEN1
SCHEMBL4314263 0.79 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AAHRMEN1

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-0046283-A2 4-Phenoxy-2-butene derivatives and their use as plant growth regulators J.T. Baker Chemical Co. (US) 1982-02-24 EP disclosed