SCHEMBL13933056

SCHEMBL13933056

C=Cc1ccc(OCCCCCCCCCCC(=O)OCC(CC)CCCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ ATM Q13315 1/20 0.59
▸ CNR2 P34972 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ CA2 P00918 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ PLA2G4B P0C869 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ P2RY10 O00398 2/20 0.40
▸ GPR174 Q9BXC1 2/20 0.40

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
SCHEMBL1086969 0.87 TSHR (0.56) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL14566052 0.86 CYP3A4 (0.64) TSHRCYP3A4TDP1ATMCNR2
SCHEMBL13612297 0.86 CYP3A4 (0.64) TSHRCYP3A4TDP1ATMCNR2
SCHEMBL13933048 0.86 TSHR (0.55) TSHRCYP3A4TDP1ATMCNR2
SCHEMBL13933079 0.85 CYP3A4 (0.63) TSHRCYP3A4TDP1ATMCNR2
SCHEMBL13933053 0.85 DGKA (0.53) TSHRCNR2PLA2G4B
SCHEMBL13933052 0.85 DGKA (0.53) TSHRCNR2PLA2G4B
SCHEMBL13933036 0.83 CYP3A4 (0.60) TSHRCYP3A4TDP1ATMCNR2
SCHEMBL14565995 0.83 CYP3A4 (0.60) TSHRCYP3A4TDP1ATMCNR2
SCHEMBL8816423 0.81 CNR2 (0.52) CNR2PLA2G4BLMNA

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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