SCHEMBL168858

SCHEMBL168858

COC(=O)CCc1ccc(C(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.59
▸ HSD17B10 Q99714 1/20 0.56
▸ CYP4A11 Q02928 4/20 0.49
▸ CYP4F2 P78329 3/20 0.49
▸ F2RL1 P55085 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL8896434 0.89 HSD17B10 (0.67) KMT2AHSD17B10CYP4A11CYP4F2LMNA
SCHEMBL22922181 0.88 CYP4F2 (0.59) KMT2AHSD17B10CYP4A11CYP4F2F2RL1
SCHEMBL8658445 0.86 HSD17B10 (0.58) KMT2AHSD17B10CYP4A11CYP4F2EPHX2
SCHEMBL2499088 0.85 CYP4A11 (0.64) HSD17B10CYP4A11CYP4F2ADRB2ADRB1
SCHEMBL2570247 0.85 ALDH1A1 (0.52) KMT2ACYP4A11CYP4F2F2RL1ADRB2
SCHEMBL5012302 0.84 PARP10 (0.48) CYP4A11CYP4F2F2RL1ADRB2ADRB1
SCHEMBL4123759 0.84 CYP4A11 (0.47) KMT2AHSD17B10CYP4A11CYP4F2F2RL1
SCHEMBL7280993 0.83 HDAC1 (0.46) KMT2AHSD17B10MAPTL3MBTL1ALDH1A1
SCHEMBL6847256 0.82 CYP4F2 (0.70) KMT2AHSD17B10CYP4A11CYP4F2LMNA
SCHEMBL11243916 0.81 CYP4F2 (0.58) KMT2AHSD17B10CYP4A11CYP4F2F2RL1

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
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 — — WO disclosed
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 — — WO disclosed
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