SCHEMBL11322693

SCHEMBL11322693

CC(=O)NCC(C)c1ccc(C(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.52
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
GRIA4 P48058 1/20 0.43
NPC1 O15118 2/20 0.43
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 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
SCHEMBL9510562 0.84 ACACB (0.54) ACACBCA1CA2NPC1MTNR1A
SCHEMBL28302050 0.82 ACACB (0.52) ACACBGRIA4NPC1MTNR1AMTNR1B
SCHEMBL4442263 0.82 ACACB (0.52) ACACBGRIA4NPC1MTNR1AMTNR1B
SCHEMBL4760955 0.82 ACACB (0.52) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL28303465 0.82 ACACB (0.52) ACACBGRIA4NPC1MTNR1AMTNR1B
SCHEMBL8384245 0.81 MTNR1A (0.60) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL2091303 0.81 MTNR1A (0.60) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL8384291 0.81 MTNR1A (0.60) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL9512709 0.79 MTNR1A (0.67) ACACBNPC1MTNR1AMTNR1BKMT2A
SCHEMBL16130561 0.79 ACACB (0.49) ACACBNPC1MTNR1AMTNR1BRAB9A

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-0025331-A1 Cinnamic acid derivatives, their preparation, and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-03-18 EP disclosed