SCHEMBL16656200

SCHEMBL16656200

CC(C)CC(OC=O)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(C(CC(C)C)C(=O)O)C3=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
BCL2 P10415 3/20 0.40
BCL2L2 Q92843 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MCL1 Q07820 4/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16656338 0.86 ALDH1A1 (0.49) TP53BCL2BCL2L2ALDH1A1MCL1
SCHEMBL21449404 0.81 BCL2 (0.45) TP53BCL2BCL2L2ALDH1A1MCL1
SCHEMBL478909 0.76 ALDH1A1 (0.64) TP53MAPTBCL2BCL2L2ALDH1A1
SCHEMBL11616001 0.76 ALDH1A1 (0.64) TP53MAPTBCL2BCL2L2ALDH1A1
SCHEMBL4609039 0.76 ALDH1A1 (0.64) TP53MAPTBCL2BCL2L2ALDH1A1
SCHEMBL25583427 0.76 KDM4E (0.58) TP53MAPTBCL2BCL2L2ALDH1A1
SCHEMBL21851967 0.71 ALDH1A1 (0.50) TP53BCL2BCL2L2ALDH1A1GAA
SCHEMBL24705626 0.70 MCL1 (0.45) TP53MAPTALDH1A1MCL1GAA
SCHEMBL21852156 0.69 ALDH1A1 (0.66) TP53BCL2BCL2L2ALDH1A1MCL1
SCHEMBL16601635 0.69 ALDH1A1 (0.43) MAPTALDH1A1GAAKDM4EPOLB

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
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed