SCHEMBL4356923

SCHEMBL4356923

CC(C(=O)NC1CCCCC1C(C)(C)C)C(C(=O)NC1CCCCC1C(C)(C)C)C(=O)NC1CCCCC1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
EPHX1 P07099 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10224264 0.75 PSEN1 (0.46) TAS1R3TAS1R1EPHX1ATMALDH1A1
SCHEMBL12265151 0.75 PSEN1 (0.46) TAS1R3TAS1R1EPHX1ATMALDH1A1
SCHEMBL2452522 0.75 CYP3A4 (0.35) ALDH1A1
SCHEMBL2450442 0.75 CYP3A4 (0.38) TAS1R3TAS1R1ALDH1A1
SCHEMBL10224232 0.71 USP2 (0.37) EPHX1ALDH1A1
SCHEMBL12265149 0.70 BTK (0.46) EPHX1
SCHEMBL2454852 0.70 TAS1R3 (0.54) TAS1R3TAS1R1
SCHEMBL13990618 0.67 SSTR3 (0.49) TAS1R3TAS1R1
SCHEMBL10742753 0.67 EPHX1 (0.31) EPHX1
SCHEMBL5021849 0.67 TAS1R3 (0.42) TAS1R3TAS1R1EPHX1ATMALDH1A1

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
EP-2096137-A1 NOVEL POLYOLEFIN RESIN COMPOSITION AND MOLDED RESIN OBTAINED THEREFROM New Japan Chemical Co., Ltd. (JP) 2009-09-02 EP disclosed