SCHEMBL11603812

SCHEMBL11603812

CCCCCc1cc(O)c(C2=C(CC(=O)O)CCC(CC)C2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.41
▸ CNR1 P21554 6/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ PPARA Q07869 1/20 0.38
▸ GPR84 Q9NQS5 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ OPRM1 P35372 3/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ MLNR O43193 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ PDE9A O76083 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HTR1A P08908 1/20 0.36

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
SCHEMBL11603556 0.85 CNR2 (0.43) CNR2CNR1OPRM1TRPV1ACE2
SCHEMBL11602057 0.81 OPRM1 (0.41) CNR2CNR1OPRM1TRPV1ACE2
SCHEMBL11603814 0.79 ALDH1A1 (0.35) CNR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL11603500 0.78 CNR2 (0.40) CNR2CNR1PPARAMEN1KMT2A
SCHEMBL11601098 0.75 OPRM1 (0.42) CNR2CNR1OPRM1TRPV1ACE2
SCHEMBL11602695 0.73 CNR2 (0.58) CNR2CNR1OPRM1TRPV1ACE2
SCHEMBL11601783 0.72 CNR2 (0.57) CNR2CNR1OPRM1TRPV1ACE2
SCHEMBL11602544 0.72 CNR2 (0.57) CNR2CNR1OPRM1TRPV1ACE2
SCHEMBL11601797 0.72 OPRM1 (0.39) CNR2CNR1OPRM1TRPV1ACE2
SCHEMBL11602989 0.71 CNR2 (0.56) CNR2CNR1OPRM1TRPV1ACE2

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-4092344-A Cyclohexenyl resorcinol derivatives ELI LILLY AND COMPANY (US) 1978-05-30 — — US disclosed
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