SCHEMBL23735542

SCHEMBL23735542

COC(=O)NCCCCNC(=O)C(=O)NCCCCNC=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.55
ADH1B P00325 3/20 0.43
ADH1A P07327 3/20 0.43
ADH7 P40394 3/20 0.43
ADH1C P00326 2/20 0.43
ADH4 P08319 1/20 0.42
ALDH1A1 P00352 1/20 0.39
ACHE P22303 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MGLL Q99685 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL15803487 0.92 EPHX1 (0.64) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL23735424 0.89 EPHX1 (0.55) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL7252127 0.81 EPHX1 (0.77) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL23735560 0.80 KDM4E (0.60) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL16486494 0.80 EPHX1 (0.59) EPHX1ACHETDP1EPHX2MAOA
SCHEMBL7788569 0.79 EPHX1 (0.82) EPHX1ALDH1A1ACHETDP1KDM4E
SCHEMBL7788927 0.79 EPHX1 (0.82) EPHX1ALDH1A1ACHETDP1KDM4E
SCHEMBL717081 0.79 EPHX1 (0.82) EPHX1ALDH1A1ACHETDP1KDM4E
SCHEMBL14252129 0.79 EPHX1 (0.82) EPHX1ALDH1A1ACHETDP1KDM4E
SCHEMBL7788937 0.79 EPHX1 (0.82) EPHX1ALDH1A1ACHETDP1KDM4E

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