SCHEMBL23764754

SCHEMBL23764754

C=C(C(=O)CC1CCCCC1)C(=O)OC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.39
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 1/20 0.37
NAAA Q02083 2/20 0.36
HTT P42858 1/20 0.35
CYP19A1 P11511 3/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
EPHX2 P34913 2/20 0.32
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 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
SCHEMBL25144745 0.86 EPHX1 (0.39) EPHX1HPGDKMT2ACYP2C19NAAA
SCHEMBL6658383 0.85 EPHX1 (0.47) EPHX1CYP2C19NAAAHTTCYP19A1
SCHEMBL23749099 0.83 EPHX1 (0.43) EPHX1CYP2C19NAAAHTTCYP19A1
SCHEMBL7034602 0.76 EPHX1 (0.46) EPHX1HPGDCYP2C19NAAAHTT
SCHEMBL6655840 0.76 EPHX1 (0.42) EPHX1CYP2C19NAAAHTTCYP19A1
SCHEMBL28923330 0.74 EPHX1 (0.43) EPHX1CYP2C19NAAAHTTCYP19A1
SCHEMBL28776250 0.74 CYP2C19 (0.52) EPHX1HPGDKMT2ACYP2C19NAAA
SCHEMBL2145666 0.74 CYP2C19 (0.52) EPHX1HPGDKMT2ACYP2C19NAAA
SCHEMBL7085369 0.72 EPHX1 (0.54) EPHX1HPGDKMT2ACA12CA1
SCHEMBL2999385 0.72 EPHX1 (0.54) EPHX1CYP2C19NAAAHTTCYP19A1

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-3865519-A1 RESIN COMPOSITION Namics Corporation (JP) 2021-08-18 EP disclosed