SCHEMBL27758307

SCHEMBL27758307

CCC=CCCCc1cccc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.58
▸ FAAH O00519 2/20 0.56
▸ CNR1 P21554 1/20 0.56
▸ CHRM2 P08172 2/20 0.55
▸ CHRM1 P11229 2/20 0.55
▸ CHRM3 P20309 2/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.54
▸ MTNR1A P48039 2/20 0.51
▸ MTNR1B P49286 2/20 0.51
▸ IDO1 P14902 2/20 0.50
▸ AGXT P21549 2/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.49
▸ AOC3 Q16853 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
SCHEMBL19021153 0.85 PPARA (0.68) EPHX2FAAHCHRM2CHRM1CHRM3
SCHEMBL21381119 0.85 PPARA (0.68) EPHX2FAAHCHRM2CHRM1CHRM3
SCHEMBL21381118 0.85 PPARA (0.68) EPHX2FAAHCHRM2CHRM1CHRM3
SCHEMBL13206731 0.82 PPARA (0.58) EPHX2FAAHCNR1CHRM2CHRM1
SCHEMBL21035187 0.82 CHRM2 (0.52) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL21002016 0.81 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL21002162 0.81 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL29986862 0.81 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL8358192 0.81 CHRM2 (0.58) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL30930046 0.81 CHRM2 (0.58) CHRM2CHRM1CHRM3TAAR1MTNR1A

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
CN-101395127-A Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO (JP) 2009-03-25 — — CN disclosed
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