SCHEMBL11678166

SCHEMBL11678166

CCCCCCc1cc(O)cc2c1C1=C(N3CCC1CC3)C(C)(C)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.44
▸ CNR2 P34972 7/20 0.39
▸ CNR1 P21554 5/20 0.38
▸ RBP1 P09455 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ ALOX5 P09917 3/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CYP2J2 P51589 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34

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
SCHEMBL11680076 0.83 CNR2 (0.55) CNR2CNR1OPRM1TRPA1CYP1A1
SCHEMBL11679377 0.79 PTPN1 (0.36) CNR2CNR1PTPN1MEN1KMT2A
SCHEMBL11680616 0.72 CNR2 (0.47) CNR2CNR1OPRM1TRPA1CYP1A1
SCHEMBL11678393 0.71 CNR2 (0.46) CNR2CNR1OPRM1TRPA1CYP1A1
SCHEMBL11678224 0.70 CNR2 (0.46) CNR2CNR1OPRM1TRPA1CYP1A1
SCHEMBL11680357 0.69 CNR2 (0.39) CNR2CNR1PTGS2OPRM1TRPA1
SCHEMBL9151323 0.68 TDP1 (0.67) ACE2PTPN1ALOX5PTGS2TDP1
SCHEMBL22860845 0.66 TDP1 (0.69) ACE2PTPN1ALOX5PTGS2TDP1
SCHEMBL4923792 0.66 PTGS2 (0.61) ALOX5PTGS2SLC6A2SLC6A4TDP1
SCHEMBL22860858 0.63 TDP1 (0.51) ACE2RBP1PTPN1ALOX5PTGS2

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-4020163-A Use of heterocyclic esters of 5H-[1]benzopyrano [3,4-b]pyridines as analgesics SHARPS ASSOCIATES (US) 1977-04-26 — — US disclosed
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