SCHEMBL28056545

SCHEMBL28056545

CC(=CCCNCC(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
CD81 P60033 1/20 0.33
ANPEP P15144 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
PPARG P37231 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
SCHEMBL9293139 0.81 CD81 (0.34) CYP2D6CYP2C19CD81
SCHEMBL636455 0.79 CD81 (0.36) CYP2C19CD81CYP1A2PPARG
SCHEMBL7779001 0.79 CD81 (0.36) CD81PPARG
SCHEMBL303228 0.79 CD81 (0.36) CYP2C19CD81CYP1A2PPARG
SCHEMBL637549 0.77 PAOX (0.42) ADH1BADH1ACD81PPARG
SCHEMBL637548 0.77 PAOX (0.42) ADH1BADH1ACD81PPARG
SCHEMBL5086081 0.77 CD81 (0.35) CD81ALDH1A1PPARG
SCHEMBL523130 0.77 CD81 (0.35) CYP2D6CYP2C19CD81ALDH1A1CYP1A2
SCHEMBL8735321 0.75 ADH1B (0.39) ADH1BADH1CADH1ACD81PPARG
SCHEMBL246136 0.74 ALOX15 (0.42) ADH1BADH1CADH1AALDH1A1

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-105319847-A Photosensitive resin composition for color filter and application thereof CHI MEI CORP 2016-02-10 CN disclosed