SCHEMBL13933107

SCHEMBL13933107

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.59
▸ TSHR P16473 3/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ ATM Q13315 1/20 0.59
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CNR2 P34972 3/20 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
▸ LMNA P02545 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ DGKA P23743 1/20 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
SCHEMBL13933127 0.88 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL13933136 0.88 CYP3A4 (0.63) CYP3A4TSHRTDP1ATMMAPT
SCHEMBL13612297 0.86 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMKMT2A
SCHEMBL13933104 0.85 MAPT (0.56) TSHRMAPTKMT2ACNR2PRSS1
SCHEMBL13933135 0.84 CYP3A4 (0.61) CYP3A4TSHRTDP1ATMMAPT
SCHEMBL14566052 0.84 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL13933079 0.83 CYP3A4 (0.63) CYP3A4TSHRTDP1ATMMAPT
SCHEMBL7917888 0.82 MAPT (0.52) MAPTKMT2A
SCHEMBL13933036 0.81 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL14565995 0.81 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMALDH1A1

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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