SCHEMBL9683047

SCHEMBL9683047

COC=C(C(=O)OC)c1ccccc1CC(=O)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
SHBG P04278 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9683040 1.00 ERCC5 (0.41) ERCC5FEN1SHBGKMT2AMEN1
SCHEMBL9683049 0.90 ERCC5 (0.43) ERCC5FEN1SHBGKMT2AMEN1
SCHEMBL9681226 0.84 NPC1 (0.43) KMT2AMEN1RAB9AKDM4ETSHR
SCHEMBL9681230 0.84 NPC1 (0.43) KMT2AMEN1RAB9AKDM4ETSHR
SCHEMBL5997910 0.81 HPGD (0.39) KDM4ELMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL5997905 0.81 HPGD (0.39) KDM4ELMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL30095450 0.81 HPGD (0.39) KDM4ELMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL5997796 0.81 HPGD (0.39) KDM4ELMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL9944266 0.81 HPGD (0.41) KDM4ETSHRLMNA
SCHEMBL7170040 0.80 HTT (0.60) RAB9AKDM4EMAPTNPC1SMN1; SMN2

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