SCHEMBL13639167

SCHEMBL13639167

C/C=C/CCCCCCc1cccc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
CHRM2 P08172 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM3 P20309 2/20 0.54
TAAR1 Q96RJ0 1/20 0.53
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
PPARA Q07869 2/20 0.52
FAAH O00519 3/20 0.51
EPHX2 P34913 3/20 0.51
CNR1 P21554 1/20 0.49
ACHE P22303 1/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL14167525 1.00 HDAC1 (0.57) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL9005287 0.87 TAAR1 (0.59) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL9005286 0.87 TAAR1 (0.59) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL21381119 0.87 PPARA (0.68) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL19021153 0.87 PPARA (0.68) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL21381118 0.87 PPARA (0.68) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL21002124 0.85 TAAR1 (0.69) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL13206731 0.84 PPARA (0.58) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL21002162 0.83 TAAR1 (0.71) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL3145532 0.83 HDAC1 (0.58) HDAC1HDAC6CHRM2CHRM1CHRM3

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-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 EP disclosed