SCHEMBL11095941

SCHEMBL11095941

COCOC1=C(c2ccccc2C)C(=O)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ BRD4 O60885 3/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ MAP2K7 O14733 1/20 0.33
▸ CDC25A P30304 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL11094931 0.85 OPRM1 (0.39) OPRM1LMNASMN1; SMN2BRD4OPRD1
SCHEMBL11096198 0.83 BRD4 (0.49) OPRM1LMNASMN1; SMN2BRD4OPRD1
SCHEMBL11094467 0.78 ALDH1A1 (0.38) OPRM1LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11093534 0.76 CYP11B2 (0.40) OPRM1LMNAOPRD1ALDH1A1GAA
SCHEMBL11125155 0.75 SMN1; SMN2 (0.38) OPRM1LMNASMN1; SMN2BRD4OPRD1
SCHEMBL11125800 0.74 SMN1; SMN2 (0.37) OPRM1LMNASMN1; SMN2BRD4OPRD1
SCHEMBL10913278 0.73 LMNA (0.36) OPRM1LMNASMN1; SMN2BRD4ALDH1A1
SCHEMBL11091882 0.73 BRD4 (0.36) OPRM1LMNASMN1; SMN2BRD4ALDH1A1
SCHEMBL11127736 0.73 BRD4 (0.38) OPRM1LMNASMN1; SMN2BRD4OPRD1
SCHEMBL11088993 0.73 POLB (0.38) OPRM1LMNASMN1; SMN2BRD4OPRD1

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-4436666-A HERBICIDES, MITICIDWS UNION CARBIDE CORPORATION (US) 1984-03-13 — — US disclosed
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