SCHEMBL13933127

SCHEMBL13933127

CCCCC(CC)COC(=O)CCCCCCCCCCOc1ccc(N)nc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ ATM Q13315 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CNR2 P34972 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ P2RY10 O00398 4/20 0.40
▸ GPR174 Q9BXC1 3/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TLR2 O60603 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39

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
SCHEMBL13933107 0.88 CYP3A4 (0.59) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL13933135 0.88 CYP3A4 (0.61) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL13933079 0.87 CYP3A4 (0.63) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL13933126 0.85 DGKA (0.51) TSHRALDH1A1CNR2PRSS1PRSS2
SCHEMBL13933136 0.84 CYP3A4 (0.63) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL13612297 0.83 CYP3A4 (0.64) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL14566052 0.83 CYP3A4 (0.64) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL13933131 0.81 DGKA (0.50) TSHRCNR2PRSS1PRSS2PRSS3
SCHEMBL13933036 0.81 CYP3A4 (0.60) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL14565995 0.81 CYP3A4 (0.60) CYP3A4TDP1TSHRATMALDH1A1

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-7485604-B2 Lubricant composition and method for using and preparing thereof FUJIFILM CORPORATION (JP) 2009-02-03 — — US disclosed
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