SCHEMBL13612297

SCHEMBL13612297

CCCCC(CC)COC(=O)CCCCCCCCCCOc1ccc(C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.64
▸ TSHR P16473 3/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ ATM Q13315 1/20 0.64
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ CA2 P00918 1/20 0.48
▸ PTGES O14684 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ RECQL P46063 1/20 0.43

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
SCHEMBL14566052 0.91 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL13933079 0.89 CYP3A4 (0.63) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL14565995 0.87 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL13933036 0.87 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL13933056 0.86 TSHR (0.59) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL13933107 0.86 CYP3A4 (0.59) CYP3A4TSHRTDP1ATMKMT2A
SCHEMBL13612277 0.85 TSHR (0.60) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL13933136 0.85 CYP3A4 (0.63) CYP3A4TSHRTDP1ATMALDH1A1
Dibutyl Sebacate SCHEMBL1507836 0.85 TSHR (0.84) CYP3A4TSHRTDP1ATMMEN1
Dibutyl Sebacate SCHEMBL6110391 0.85 TSHR (0.84) CYP3A4TSHRTDP1ATMMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622432-B2 Lubricant composition and triazine-ring-containing compound FUJIFILM CORPORATION (JP) 2009-11-24 — — US disclosed
US-20090118146-A1 IMPREGNATING OIL COMPOSITION FOR SINTERED BEARING, BEARING APPARATUS AND SLIDING MEMBER FUJIFILM CORPORATION (JP) 2009-05-07 — — US disclosed
US-7485604-B2 Lubricant composition and method for using and preparing thereof FUJIFILM CORPORATION (JP) 2009-02-03 — — US disclosed
US-20080134938-A1 Surface Treatment Method Employing Discotic Compound, (Lubricant) Composition to Be Used Surface Treatments, and Surface-Treated Articles FUJIFILM CORPORATION (JP) 2008-06-12 — — US disclosed
Send feedback