SCHEMBL19528803

SCHEMBL19528803

C=C(C)C(=O)NCCCNC(=O)C(=O)NCCCC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ MGAM O43451 1/20 0.44
▸ SI P14410 1/20 0.44
▸ MGAM2 Q2M2H8 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ EPHX2 P34913 10/20 0.41

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
SCHEMBL27780836 0.97 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10081657 0.92 ALDH1A1 (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10080728 0.90 EPHX2 (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10081654 0.86 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL21122975 0.84 GAA (0.45) CYP1A2GAAMGAMSIMGAM2
SCHEMBL21122974 0.81 GAA (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL7568085 0.81 PAM (0.49) CYP3A4CYP2C19ALDH1A1CYP2D6KDM4E
SCHEMBL16309325 0.80 KDM4E (0.44) CYP3A4CYP2C19ALDH1A1KDM4EEPHX2
SCHEMBL23031134 0.79 TSHR (0.53) CYP1A2GAACYP3A4CYP2C19ALDH1A1
SCHEMBL50331 0.79 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190126608-A1 THERMOPLASTIC POLYMER PARTICLES AND A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA NV (BE) 2019-05-02 — — US disclosed
WO-2017186556-A1 THERMOPLASTIC POLYMER PARTICLES AND A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2017-11-02 — — WO disclosed
EP-3239184-A1 THERMOPLASTIC POLYMER PARTICLES AND A LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics NV (BE) 2017-11-01 — — EP disclosed
Send feedback