SCHEMBL28144201

SCHEMBL28144201

CCOCCCC(=O)OC1CCCCCCCCC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.46
EPHX1 P07099 2/20 0.46
HTT P42858 3/20 0.45
CYP2C19 P33261 1/20 0.44
CYP19A1 P11511 2/20 0.40
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3820123 1.00 NAAA (0.68) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL20210663 1.00 NAAA (0.68) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL20210431 0.98 NAAA (0.67) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL17909131 0.97 NAAA (0.64) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL17909703 0.97 NAAA (0.64) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL17909590 0.97 NAAA (0.64) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL20210716 0.95 NAAA (0.71) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL20210618 0.95 NAAA (0.71) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL20210481 0.93 NAAA (0.73) NAAASMN1; SMN2EPHX1HTTCYP2C19
SCHEMBL20210656 0.93 NAAA (0.73) NAAASMN1; SMN2EPHX1HTTCYP2C19

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-106574148-A Energy ray-curable adhesive 电化株式会社 2017-04-19 CN disclosed