SCHEMBL23735485

SCHEMBL23735485

COC(=O)NCCCCCCNC(=O)NCCCCCCNC(=O)OC

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.72
PRMT1 Q99873 1/20 0.52
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 1/20 0.46
ACHE P22303 6/20 0.45

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
SCHEMBL23735538 0.98 EPHX1 (0.68) EPHX1PRMT1KDM4EMAPK1HIF1A
SCHEMBL23735536 0.93 EPHX1 (0.61) EPHX1PRMT1EPHX2ACHE
SCHEMBL7788937 0.93 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7788569 0.93 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL14252129 0.93 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL717081 0.93 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7788927 0.93 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7252127 0.90 EPHX1 (0.77) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL23735539 0.89 EPHX1 (0.59) EPHX1PRMT1KDM4EMAPK1HIF1A
SCHEMBL23735424 0.86 EPHX1 (0.55) EPHX1PRMT1TDP1EPHX2ACHE

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-3157978-B1 STRICTLY SEGMENTED THERMOPLASTIC ELASTOMERS AS BIODEGRADABLE BIOMATERIALS SYMO CHEM B V (NL) 2021-08-11 EP disclosed