Sugi Predict

Sugi Predict / Compounds / SCHEMBL11740319

SCHEMBL11740319

SCHEMBL11740319

CCCC(C)(c1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.58
▸ CNR1 P21554 11/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ KMT2A Q03164 1/20 0.58

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
SCHEMBL11738108 0.86 CNR2 (0.42) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11734540 0.79 CNR1 (0.46) CNR2CNR1
SCHEMBL11628130 0.78 CNR2 (0.36) CNR2CNR1
Hydrochloric Acid SCHEMBL11735444 0.78 CNR1 (0.38) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11737457 0.78 CNR2 (0.41) CNR2CNR1MEN1GAAKMT2A
Bromide SCHEMBL11731550 0.77 CNR2 (0.41) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11741280 0.76 CNR1 (0.44) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11639037 0.75 CNR2 (1.00) CNR2CNR1MEN1GAAKMT2A
SCHEMBL31544851 0.75 CNR2 (1.00) CNR2CNR1MEN1GAAKMT2A
SCHEMBL31545774 0.75 CNR2 (1.00) CNR2CNR1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4049653-A ANALGESICS, ANTIANXIETY AGENTS ABBOTT LABORATORIES (US) 1977-09-20 — — US disclosed
US-4025630-A Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication ABBOTT LABORATORIES (US) 1977-05-24 — — US disclosed
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