SCHEMBL12812176

SCHEMBL12812176

CCOC(=O)/C(O)=C1/CCCCCCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL12811761 1.00 BRD4 (0.37) BRD4KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL20924944 0.98 BRD4 (0.38) BRD4KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL20924990 0.95 BRD4 (0.41) BRD4KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL21612456 0.81 BRD4 (0.38) BRD4KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL21612455 0.81 BRD4 (0.38) BRD4KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL20924858 0.80 BRD4 (0.43) BRD4KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL31310089 0.76 TSHR (0.33) KMT2AMAPTALDH1A1SMN1; SMN2CYP2C19
SCHEMBL14902301 0.74 BRD4 (0.35) BRD4KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL15636529 0.73 GAA (0.35) KMT2AMAPTALDH1A1RAB9AMEN1
SCHEMBL7150874 0.71 ATM (0.40) KMT2AMAPTALDH1A1SMN1; SMN2HPGD

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
EP-1902034-B1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2011-03-30 — — EP disclosed
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