SCHEMBL19237014

SCHEMBL19237014

CC(OCN)OC(=O)OC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
HTT P42858 1/20 0.40
NAAA Q02083 2/20 0.37
CYP19A1 P11511 3/20 0.36
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9966158 0.85 EPHX1 (0.45) EPHX1HTTNAAACYP19A1CYP2C19
SCHEMBL7371640 0.80 EPHX1 (0.39) EPHX1HTTNAAACYP19A1CYP2C19
SCHEMBL13130088 0.80 EPHX1 (0.41) EPHX1HTTNAAACYP19A1CYP2C19
SCHEMBL7606345 0.78 EPHX1 (0.40) EPHX1HTTNAAACYP19A1CYP2C19
SCHEMBL5987477 0.78 EPHX1 (0.40) EPHX1HTTNAAACYP19A1CYP2C19
SCHEMBL23222733 0.78 EPHX1 (0.40) EPHX1HTTNAAACYP19A1CYP2C19
SCHEMBL16805821 0.78 EPHX1 (0.40) EPHX1HTTNAAACYP19A1CYP2C19
SCHEMBL5986431 0.78 EPHX1 (0.40) EPHX1HTTNAAACYP19A1CYP2C19
SCHEMBL13662184 0.78 NAAA (0.46) EPHX1HTTNAAACYP19A1CYP2C19
SCHEMBL20388745 0.78 EPHX1 (0.42) EPHX1HTTNAAACYP19A1CYP2C19

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-2714648-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-08-16 EP disclosed