SCHEMBL11677068

SCHEMBL11677068

CC1(C)Oc2cc(CCCC3CCCC3)cc(OC(=O)CCCN3CCOCC3)c2C2=C1N1CCC2CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MMP1 P03956 3/20 0.32
▸ MMP2 P08253 3/20 0.32
▸ MMP3 P08254 3/20 0.32
▸ HPGD P15428 6/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ PSMB5 P28074 2/20 0.31
▸ PSMB8 P28062 1/20 0.31
▸ PSMB10 P40306 1/20 0.31
▸ PSMB2 P49721 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31

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
SCHEMBL11681854 0.95 CNR1 (0.37) CNR1CNR2ALDH1A1MMP1MMP2
SCHEMBL11680487 0.85 CNR2 (0.39) CNR1CNR2PSMB5
Hydrochloric Acid SCHEMBL11677294 0.85 CNR2 (0.39) CNR1CNR2ALDH1A1PSMB5
SCHEMBL11678770 0.82 CNR2 (0.44) CNR1CNR2
Hydrochloric Acid SCHEMBL11679783 0.80 — —
Hydrochloric Acid SCHEMBL11678033 0.80 CNR2 (0.39) CNR1CNR2ALDH1A1
SCHEMBL11678811 0.79 CNR1 (0.34) CNR1CNR2
Hydrochloric Acid SCHEMBL11677290 0.78 CNR1 (0.34) CNR1CNR2ALDH1A1
SCHEMBL11679187 0.78 CNR2 (0.41) CNR1CNR2
Hydrochloric Acid SCHEMBL11678716 0.77 CNR2 (0.38) CNR1CNR2

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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