SCHEMBL25817158

SCHEMBL25817158

CC(C)N(CCCOCCCNC(=O)C1(C)CC1)CCCOCCCNC(=O)C1(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX2 P34913 2/20 0.32
CHRM2 P08172 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
EPOR P19235 1/20 0.31

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
SCHEMBL25837186 0.84 CYP3A4 (0.37) CYP3A4CYP2C19HPGDSMN1; SMN2LMNA
SCHEMBL25817180 0.81 ACHE (0.39) CYP3A4CYP2C19HPGDSMN1; SMN2LMNA
SCHEMBL25816704 0.72 CHRM2 (0.39) CYP3A4CYP2C19HPGDSMN1; SMN2LMNA
SCHEMBL25816575 0.72 CHRM2 (0.42) CYP3A4CYP2C19SMN1; SMN2EPHX2CHRM2
SCHEMBL29306394 0.71 CYP3A4 (0.43) CYP3A4CYP2C19HPGDSMN1; SMN2LMNA
SCHEMBL23373023 0.69 MEN1 (0.38) CYP3A4CYP2C19HPGDSMN1; SMN2TSHR
SCHEMBL25816682 0.69 HPGD (0.44) CYP3A4CYP2C19HPGDSMN1; SMN2LMNA
SCHEMBL25817168 0.68 HPGD (0.47) CYP3A4CYP2C19HPGDSMN1; SMN2LMNA
SCHEMBL25816839 0.68 HPGD (0.43) CYP3A4CYP2C19HPGDSMN1; SMN2LMNA
SCHEMBL23133081 0.68 SPHK1 (0.47) CYP3A4CYP2C19HPGDSMN1; SMN2TSHR

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
WO-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed