SCHEMBL4240385

SCHEMBL4240385

Cc1ccc(NC(=O)C2CC3OC3C(C)C2C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KIF11 P52732 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
F13A1 P00488 2/20 0.37
TGM2 P21980 2/20 0.37
FPR2 P25090 2/20 0.37

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
SCHEMBL13696943 0.72 NPC1 (0.68) ALDH1A1TDP1NPC1RAB9AMEN1
SCHEMBL26373196 0.68 ALDH1A1 (0.72) ALDH1A1TDP1NPC1RAB9AMEN1
SCHEMBL2233174 0.65 DEGS1 (0.76) ALDH1A1TDP1NPC1RAB9AMEN1
SCHEMBL14014144 0.65 DEGS1 (0.76) ALDH1A1TDP1NPC1RAB9AMEN1
SCHEMBL20284023 0.64 DEGS1 (0.74) ALDH1A1TDP1NPC1RAB9AMAPT
SCHEMBL12172852 0.64 HTT (0.55) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL23130050 0.64 FPR2 (0.77) ALDH1A1SMN1; SMN2FPR2
SCHEMBL12040814 0.64 FPR2 (0.77) FPR2
SCHEMBL25668525 0.64 ALDH1A1 (0.52) ALDH1A1TDP1NPC1RAB9AMAPT
SCHEMBL14963924 0.64 NPC1 (0.51) ALDH1A1TDP1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829099-B2 Resin composition and molded article composed of the same TORAY INDUSTRIES, INC. (JP) 2014-09-09 US disclosed
EP-1903077-B1 RESIN COMPOSITION AND MOLDED ARTICLE COMPRISING THE SAME TORAY INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2740767-A1 Resin composition and molded article comprising of the same TORAY INDUSTRIES, INC. (JP) 2014-06-11 EP disclosed
US-20140155534-A1 RESIN COMPOSITION AND MOLDED ARTICLE COMPOSED OF THE SAME TORAY INDUSTRIES, INC. (JP) 2014-06-05 US disclosed
US-20090030132-A1 Resin Composition and Molded Article Composed of the Same TORAY INDUSTRIES, INC (JP) 2009-01-29 US disclosed
EP-1903077-A1 RESIN COMPOSITION AND MOLDED ARTICLE COMPRISING THE SAME TORAY INDUSTRIES, INC. (JP) 2008-03-26 EP disclosed