SCHEMBL9683049

SCHEMBL9683049

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
SHBG P04278 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 2/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 3/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK8 P45983 1/20 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
SCHEMBL9683040 0.90 ERCC5 (0.41) ERCC5FEN1SHBGKMT2AMEN1
SCHEMBL9683047 0.90 ERCC5 (0.41) ERCC5FEN1SHBGKMT2AMEN1
SCHEMBL9681239 0.83 NPC1 (0.46) KMT2AMEN1RAB9ALMNATSHR
SCHEMBL5997915 0.80 HPGD (0.41) LMNATSHRKDM4EHPGDALDH1A1
SCHEMBL8179369 0.78 HPGD (0.49) RAB9ALMNATSHRKDM4ENPC1
SCHEMBL27519602 0.77 ALDH1A1 (0.44) KMT2AMEN1LMNATSHRKDM4E
SCHEMBL8035923 0.77 ALDH1A1 (0.43) KMT2AMEN1LMNATSHRKDM4E
SCHEMBL9267454 0.77 HDAC3 (0.42) KMT2ALMNAHPGDALDH1A1MAPK8
SCHEMBL5669568 0.77 ALDH1A1 (0.43) KMT2AMEN1LMNATSHRKDM4E
SCHEMBL9021316 0.77 HDAC3 (0.42) KMT2ALMNAHPGDALDH1A1MAPK8

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