SCHEMBL9681226

SCHEMBL9681226

CO/C=C(\C(=O)OC)c1ccccc1CC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 4/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CES1 P23141 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 3/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL9681230 1.00 NPC1 (0.43) NPC1KMT2AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL9681239 0.89 NPC1 (0.46) NPC1KMT2AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL9683040 0.84 ERCC5 (0.41) NPC1KMT2AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL9683047 0.84 ERCC5 (0.41) NPC1KMT2AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL9944266 0.83 HPGD (0.41) KDM4EHPGDLMNATSHRALDH1A1
SCHEMBL10387139 0.82 PPARG (0.47) NPC1KMT2AL3MBTL1TDP1MAPT
SCHEMBL10387140 0.82 PPARG (0.47) NPC1KMT2AL3MBTL1TDP1MAPT
SCHEMBL7658957 0.81 HPGD (0.46) NPC1KDM4EL3MBTL1HPGDLMNA
SCHEMBL7658965 0.81 HPGD (0.46) NPC1KDM4EL3MBTL1HPGDLMNA
SCHEMBL7658954 0.81 HPGD (0.46) NPC1KDM4EL3MBTL1HPGDLMNA

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-5147892-A BENZYL KETONES AND FUNGICIDES CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1992-09-15 US disclosed