SCHEMBL11739044

SCHEMBL11739044

CCC(c1cccc(Cl)c1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.36
▸ CNR1 P21554 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ HKDC1 Q2TB90 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL11736633 0.73 CNR2 (0.43) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11738988 0.72 CNR1 (0.42) CNR2CNR1
SCHEMBL11739301 0.71 CNR2 (0.48) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11734041 0.71 CNR2 (0.46) CNR2CNR1MEN1GAAKMT2A
SCHEMBL31546201 0.71 CNR2 (0.46) CNR2CNR1MEN1GAAKMT2A
SCHEMBL31545563 0.68 CNR2 (0.41) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11741280 0.68 CNR1 (0.44) CNR2CNR1MEN1GAAKMT2A
SCHEMBL31545877 0.67 — —
SCHEMBL10507481 0.67 CNR2 (0.66) CNR2CNR1MEN1GAAKMT2A
SCHEMBL16771227 0.67 ACP3 (0.46) MEN1KMT2ASLC6A2SLC6A4LMNA

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-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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