SCHEMBL26935459

SCHEMBL26935459

CC(C)C(=O)NCCCNC(=O)OC1CC/C=C/CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 4/20 0.35
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
NQO2 P16083 1/20 0.33
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
BCHE P06276 1/20 0.33
DDR1 Q08345 1/20 0.32
KCNA3 P22001 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
IDO1 P14902 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL24263885 0.83 GAA (0.58) EPHX1GAABCHEKCNA3
SCHEMBL21786685 0.82 EPHX1 (0.46) EPHX1GAACYP2C9CYP2C19NR1H4
SCHEMBL24091968 0.82 EPHX1 (0.45) EPHX1GAABRD4BCHEKCNA3
SCHEMBL25457285 0.81 ALDH1A1 (0.41) EPHX1GAACYP2C19KMT2ABRD4
SCHEMBL19692282 0.81 TPSAB1 (0.45) EPHX1GAABRD4BCHEHDAC1
SCHEMBL22895264 0.81 TPSAB1 (0.45) EPHX1GAABRD4BCHEHDAC1
SCHEMBL17402089 0.81 TPSAB1 (0.45) EPHX1GAABRD4BCHEHDAC1
SCHEMBL19692284 0.81 TPSAB1 (0.45) EPHX1GAABRD4BCHEHDAC1
SCHEMBL16690968 0.80 EPHX1 (0.54) EPHX1GAAKMT2ABCHEKCNA3
SCHEMBL21786800 0.80 EPHX1 (0.44) EPHX1GAACYP2C19BRD4BCHE

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-4065978-B1 NOVEL LINKER COMPOUNDS CAMBRIDGE ENTPR LTD (GB) 2023-12-13 EP disclosed