SCHEMBL8897064

SCHEMBL8897064

Cc1ccc(C(=O)CC(C)(O)c2ccc(C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
MAPT P10636 2/20 0.61
LMNA P02545 2/20 0.50
GSK3B P49841 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44

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
SCHEMBL31294691 0.82 CYP2C19 (0.48) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL21758947 0.81 EPHX2 (0.49) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL507049 0.80 NPC1 (0.58) NPC1RAB9AMAPTLMNAGSK3B
SCHEMBL6062300 0.79 HIF1A (0.50) NPC1RAB9AMAPTLMNAGSK3B
SCHEMBL9936534 0.78 NPC1 (0.56) NPC1RAB9AMAPTLMNAGSK3B
SCHEMBL7090275 0.76 NPC1 (1.00) NPC1RAB9AMAPTLMNAGSK3B
SCHEMBL20181746 0.76 NPC1 (0.53) NPC1RAB9AMAPTLMNAGSK3B
SCHEMBL31294747 0.75 HSD11B1 (0.41) NPC1RAB9AMAPTLMNAGSK3B
SCHEMBL28700913 0.75 ALDH1A1 (0.50) NPC1RAB9AMAPTLMNAGSK3B
SCHEMBL20202561 0.75 GSK3B (0.55) NPC1RAB9AMAPTLMNAGSK3B

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
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed