SCHEMBL11736546

SCHEMBL11736546

CC(CC1CC1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCS1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.39
▸ CNR1 P21554 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL11740626 0.83 CNR2 (0.35) CNR2CNR1
SCHEMBL11738815 0.81 KDR (0.44) CNR2CNR1
SCHEMBL11328810 0.77 CNR2 (0.42) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11736560 0.77 CNR2 (0.52) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11739031 0.76 CNR2 (0.41) CNR2CNR1
Tinabinol SCHEMBL122290 0.73 CNR2 (0.39) CNR2CNR1
Tinabinol SCHEMBL29538185 0.73 CNR2 (0.39) CNR2CNR1
SCHEMBL11324314 0.72 CNR2 (0.38) CNR2CNR1
SCHEMBL11734846 0.70 CNR2 (0.63) CNR2CNR1
SCHEMBL11734351 0.66 CNR2 (0.49) CNR2CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4025630-A Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication ABBOTT LABORATORIES (US) 1977-05-24 — — US disclosed
US-3972880-A TRANQUILIZER SHARPS ASSOCIATES (US) 1976-08-03 — — US disclosed
US-3960871-A ANTIDEPRESSANT, ANALGESICS, ANTICONVULSANT ANTI-ANXIETY ACTIVITY SHARPS ASSOCIATES (US) 1976-06-01 — — US disclosed
US-3940421-A Intermediates for the preparation of thienobenzopyrans and thiopyranobenzopyrans ARTHUR D. LITTLE, INC. (US) 1976-02-24 — — US disclosed
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