SCHEMBL11737598

SCHEMBL11737598

CC(=O)Oc1cc(C)cc2c1C1=C(C(=O)CC(C)C1)C(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ELANE P08246 1/20 0.36
▸ TSHR P16473 1/20 0.33
▸ ESR1 P03372 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
SCHEMBL11744699 0.82 CNR2 (0.56) CNR2CNR1
SCHEMBL11745993 0.82 CNR2 (0.61) CNR2CNR1MEN1GAAKMT2A
Pirnabine SCHEMBL635078 0.80 CNR2 (0.67) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11738759 0.78 CNR2 (0.39) CNR2CNR1
SCHEMBL11737880 0.68 CNR1 (0.36) CNR2CNR1MEN1KMT2A
SCHEMBL11736907 0.63 CNR2 (0.52) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11772626 0.63 CNR2 (0.41) CNR2CNR1
SCHEMBL10005478 0.62 TAS2R31 (0.51) MEN1KMT2ATSHR
SCHEMBL10005479 0.62 BCHE (0.58) —
SCHEMBL11742528 0.62 CNR2 (0.44) 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-4051152-A TRANQUILIZERS, ANALGESICS SHARPS ASSOCIATES (US) 1977-09-27 — — US claimed
US-4051152-A TRANQUILIZERS, ANALGESICS SHARPS ASSOCIATES (US) 1977-09-27 — — US disclosed
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