SCHEMBL4091940

SCHEMBL4091940

O=C(C=C1CC2CCC(C1)N2Cc1ccccc1)NO

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.44
LTA4H P09960 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4086500 0.78 KMT2A (0.44) L3MBTL1KMT2AOPRM1OPRK1KCNH2
SCHEMBL4086487 0.73 HDAC8 (0.58) HDAC8KMT2ALMNAKCNH2
SCHEMBL19364501 0.73 CHRM2 (0.53) L3MBTL1OPRM1OPRD1OPRK1KCNH2
SCHEMBL707808 0.73 CHRM2 (0.53) L3MBTL1OPRM1OPRD1OPRK1KCNH2
SCHEMBL16766368 0.73 CHRM2 (0.53) L3MBTL1OPRM1OPRD1OPRK1KCNH2
SCHEMBL719296 0.73 CHRM2 (0.53) L3MBTL1OPRM1OPRD1OPRK1KCNH2
SCHEMBL29691892 0.73 CHRM2 (0.53) L3MBTL1OPRM1OPRD1OPRK1KCNH2
SCHEMBL13604588 0.73 CHRM2 (0.53) KMT2AMEN1OPRM1OPRK1KCNH2
SCHEMBL3903429 0.73 CHRM2 (0.53) KMT2AMEN1OPRM1OPRK1KCNH2
SCHEMBL20483452 0.72 CHRM2 (0.64) KMT2ALTA4HMEN1OPRM1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009117808-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-10-01 WO claimed
WO-2009117808-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-10-01 WO disclosed
WO-2009117808-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-10-01 WO disclosed