SCHEMBL11602544

SCHEMBL11602544

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.57
▸ CNR1 P21554 7/20 0.57
▸ OPRM1 P35372 4/20 0.42
▸ PTGS2 P35354 3/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ MLNR O43193 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ PDE9A O76083 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ LDHA P00338 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL11602695 0.91 CNR2 (0.58) CNR2CNR1OPRM1PTGS2TRPV1
SCHEMBL11601783 0.90 CNR2 (0.57) CNR2CNR1OPRM1PTGS2TRPV1
SCHEMBL11602989 0.89 CNR2 (0.56) CNR2CNR1OPRM1PTGS2TRPV1
SCHEMBL11601227 0.85 CNR2 (0.54) CNR2CNR1OPRM1PTGS2TRPV1
SCHEMBL11601281 0.82 CNR1 (0.48) CNR2CNR1TRPV1CYP3A4NR1I2
SCHEMBL11604379 0.80 CNR2 (0.54) CNR2CNR1OPRM1PTGS2TRPV1
SCHEMBL19551511 0.80 CNR2 (0.56) CNR2CNR1OPRM1PTGS2TRPV1
SCHEMBL11603556 0.77 CNR2 (0.43) CNR2CNR1OPRM1PTGS2TRPV1
SCHEMBL11603471 0.74 CNR2 (0.63) CNR2CNR1OPRM1TRPV1NR1I2
SCHEMBL11601092 0.73 CNR2 (0.62) CNR2CNR1OPRM1TRPV1NR1I2

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
Send feedback