SCHEMBL13612503

SCHEMBL13612503

CCCCCCCCOc1ccc(C(=O)Oc2ccc(C)cc2OC(=O)c2ccc(OCCCCCCCC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
LMNA P02545 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
PLA2G4B P0C869 3/20 0.55
MAPT P10636 2/20 0.54
KMT2A Q03164 1/20 0.54
PLK1 P53350 3/20 0.54
RARB P10826 3/20 0.52
POLB P06746 1/20 0.50
PLA2G4A P47712 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
SCHEMBL13612509 1.00 NPC1 (0.57) NPC1LMNANFKB1NFKB2RELA
SCHEMBL22813825 0.91 NPC1 (0.56) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14606216 0.91 NPC1 (0.49) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14262013 0.87 NPC1 (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9325684 0.87 NPC1 (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL7587876 0.87 NPC1 (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14262015 0.87 NPC1 (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL4531460 0.87 NPC1 (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL26602072 0.86 NPC1 (0.57) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13612519 0.86 SMPD1 (0.57) NPC1LMNANFKB1NFKB2RELA

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 3 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-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