SCHEMBL6971556

SCHEMBL6971556

COC(=O)NCCCC[C]=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.59
ACHE P22303 8/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 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
SCHEMBL6957953 0.94 EPHX1 (0.55) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL294319 0.85
SCHEMBL7252127 0.84 EPHX1 (0.77) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL7788569 0.82 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL717081 0.82 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL7788937 0.82 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL7788927 0.82 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL14252129 0.82 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL7996315 0.82 EPHX1 (0.57) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL6448286 0.81 TDP1 (0.64) EPHX1TDP1MEN1KMT2A

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
WO-2015095780-A1 TOLL-LIKE RECEPTOR 8 AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-06-25 WO disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed