SCHEMBL31310487

SCHEMBL31310487

CCCCCCCCN(C)C(=O)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.54
DNM1 Q05193 5/20 0.48
ALDH1A1 P00352 1/20 0.43
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
GGPS1 O95749 3/20 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
SCHEMBL23161586 1.00 EPHX2 (0.54) EPHX2DNM1ALDH1A1S1PR2S1PR1
SCHEMBL9423928 0.98 EPHX2 (0.51) EPHX2DNM1ALDH1A1S1PR2S1PR1
Phosphoric Acid SCHEMBL28272112 0.92 S1PR2 (0.50) EPHX2DNM1S1PR2S1PR1S1PR3
SCHEMBL9424278 0.91 ALDH1A1 (0.46) EPHX2DNM1ALDH1A1CES2CES1
SCHEMBL11046710 0.91 EPHX2 (0.62) EPHX2DNM1ALDH1A1S1PR2S1PR1
SCHEMBL20625249 0.91 EPHX2 (0.62) EPHX2DNM1ALDH1A1S1PR2S1PR1
SCHEMBL29407141 0.91 EPHX2 (0.62) EPHX2DNM1ALDH1A1S1PR2S1PR1
SCHEMBL11634642 0.91 EPHX2 (0.62) EPHX2DNM1ALDH1A1S1PR2S1PR1
SCHEMBL10816873 0.88 EPHX2 (0.59) EPHX2DNM1ALDH1A1S1PR2S1PR1
SCHEMBL19570768 0.87 EPHX2 (0.45) EPHX2DNM1ALDH1A1S1PR2S1PR1

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
CN-119013319-A Catalyst component for preparing high isotactic polypropylene polymer with wide molecular weight distribution 美国台塑公司 2024-11-22 CN disclosed