SCHEMBL15535467

SCHEMBL15535467

CCCCCc1ccc(C(=O)CCNc2ccccc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 9/20 0.68
▸ PLK3 Q9H4B4 4/20 0.65
▸ THRA P10827 6/20 0.58
▸ THRB P10828 6/20 0.58
▸ TRPA1 O75762 1/20 0.55
▸ TRPM2 O94759 1/20 0.55
▸ PLA2G1B P04054 1/20 0.55
▸ TRPM8 Q7Z2W7 1/20 0.55
▸ CYSLTR2 Q9NS75 1/20 0.55
▸ CYSLTR1 Q9Y271 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ HAO1 Q9UJM8 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL28808948 0.80 PLK1 (0.97) PLK1PLK3TRPA1TRPM2PLA2G1B
SCHEMBL466141 0.79 PLK1 (0.63) PLK1PLK3ALDH1A1HPGDHSD17B10
SCHEMBL13199682 0.78 KDM6B (0.70) PLK1PLK3TRPA1ALDH1A1HPGD
SCHEMBL11430175 0.78 PLK1 (0.66) PLK1PLK3ALDH1A1HPGDHSD17B10
SCHEMBL11443814 0.78 PLK1 (0.66) PLK1PLK3ALDH1A1HPGDHSD17B10
SCHEMBL11432358 0.78 PLK1 (0.66) PLK1PLK3ALDH1A1HPGDHSD17B10
SCHEMBL10475728 0.78 PLK1 (0.66) PLK1PLK3ALDH1A1HPGDHSD17B10
SCHEMBL11483067 0.78 PLK1 (0.66) PLK1PLK3ALDH1A1HPGDHSD17B10
SCHEMBL11437269 0.78 PLK1 (0.66) PLK1PLK3ALDH1A1HPGDHSD17B10
SCHEMBL5694119 0.78 PLK1 (0.66) PLK1PLK3ALDH1A1HPGDHSD17B10

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
WO-2013177492-A2 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF NORTHEASTERN UNIVERSITY (US) 2013-11-28 — — WO disclosed
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