SCHEMBL21953151

SCHEMBL21953151

CCOC(=O)C(CC(C)C)N1C(=O)/C(=C2/C(=O)N(C(CC(C)C)C(=O)OCC)c3c2ccc2c4c(ccc32)/C(=C2\C(=O)N(C(CC(C)C)C(=O)OCC)c3ccccc32)C(=O)N4C(CC(C)C)C(=O)OCC)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
AGTR1 P30556 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 2/20 0.37

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
SCHEMBL21953162 0.96 MAPT (0.41) MAPTTP53ALDH1A1KDM4EGLA
SCHEMBL25782848 0.74 MAPT (0.40) MAPTTP53ALDH1A1KDM4EGLA
SCHEMBL21953166 0.73 NOTUM (0.43) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL9107681 0.72 MAPT (0.49) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL21459412 0.72 ALDH1A1 (0.42) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL25782965 0.71 MAPT (0.38) MAPTTP53ALDH1A1KDM4EGLA
SCHEMBL21459413 0.71 LMNA (0.65) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL21122458 0.68 GSK3A (0.45) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL9109123 0.68 BCL2 (0.49) TP53ALDH1A1KDM4EGLAHPGD
SCHEMBL18954547 0.68 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHPGDMEN1

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-2020084900-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY 京セラドキュメントソリューションズ株式会社 2020-04-30 WO disclosed