SCHEMBL23735573

SCHEMBL23735573

NOC(=O)NC1CCC(NC(=O)NNC(=O)NC2CCC(NC(=O)ON)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
EPHX1 P07099 11/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL23735570 0.80 EPHX1 (0.53) EPHX2EPHX1
SCHEMBL1935528 0.78 EPHX1 (0.61) EPHX2EPHX1ALDH1A1KDM4ENPC1
SCHEMBL18404179 0.78 KMT2A (0.52) EPHX2EPHX1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL15468685 0.76 EPHX2 (0.40) EPHX2EPHX1ALDH1A1RAB9ATSHR
SCHEMBL23735487 0.71 EPHX2 (0.56) EPHX2EPHX1ALDH1A1KDM4ENPC1
SCHEMBL9547538 0.71 EPHX2 (0.78) EPHX2EPHX1ALDH1A1KDM4ENPC1
SCHEMBL28834421 0.70 EPHX1 (0.62) EPHX2EPHX1ALDH1A1KDM4ENPC1
SCHEMBL21914550 0.69
SCHEMBL23540191 0.68 EPHX2 (0.46) EPHX2EPHX1ALDH1A1KDM4ENPC1
SCHEMBL7894511 0.67

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