SCHEMBL11769162

SCHEMBL11769162

CCc1ccc(C=CC(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
SNCA P37840 2/20 0.53
POLB P06746 1/20 0.52
CYP2A6 P11509 1/20 0.51
KMT2A Q03164 4/20 0.47
F2 P00734 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
HDAC2 Q92769 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
MGLL Q99685 1/20 0.45
P4HB P07237 1/20 0.45
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL11769170 1.00 MAOB (0.53) MAOBSNCAPOLBCYP2A6KMT2A
SCHEMBL11767686 0.90 THRB (0.52) MAOBSNCAKMT2AMAPTLMNA
SCHEMBL11767692 0.90 THRB (0.52) MAOBSNCAKMT2AMAPTLMNA
SCHEMBL12154213 0.89 POLB (0.62) MAOBPOLBKMT2AMAPTLMNA
SCHEMBL11765937 0.87 SNCA (0.52) SNCAKMT2AMAPTLMNAHDAC2
SCHEMBL11765941 0.87 SNCA (0.52) SNCAKMT2AMAPTLMNAHDAC2
SCHEMBL11764696 0.86 THRB (0.55) SNCAKMT2AALDH1A1RAB9AMGLL
SCHEMBL11764699 0.86 THRB (0.55) SNCAKMT2AALDH1A1RAB9AMGLL
SCHEMBL11662877 0.85 ABCG2 (0.54) SNCAKMT2AMAPTHDAC2ALDH1A1
SCHEMBL11761761 0.85 TSHR (0.54) SNCAALDH1A1RAB9AMGLLKDM4E

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
US-4061587-A Liquid crystalline cinnamic acid esters HOFFMANN-LA ROCHE INC. (US) 1977-12-06 US disclosed