SCHEMBL7708969

SCHEMBL7708969

CC(C)(CCc1ccccc1)C(C)(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
KEAP1 Q14145 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SSTR4 P31391 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43

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
SCHEMBL5475208 0.80 ALDH1A1 (0.50) ALDH1A1KEAP1NPC1RAB9APOLB
SCHEMBL173883 0.80 CYP1A2 (0.51) ALDH1A1KEAP1NPC1RAB9APOLB
SCHEMBL30080837 0.80 CYP1A2 (0.51) ALDH1A1KEAP1NPC1RAB9APOLB
SCHEMBL6628038 0.80 ALDH1A1 (0.50) ALDH1A1KEAP1NPC1RAB9APOLB
SCHEMBL6632235 0.80 ALDH1A1 (0.50) ALDH1A1KEAP1NPC1RAB9APOLB
SCHEMBL6476439 0.78 ALDH1A1 (0.48) ALDH1A1KEAP1NPC1RAB9APOLB
SCHEMBL28246708 0.78 LTB4R (0.50) ALDH1A1KEAP1NPC1RAB9APOLB
SCHEMBL3367528 0.78 TAAR1 (0.50) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL5144294 0.77 ALDH1A1 (0.47) ALDH1A1KEAP1NPC1RAB9APOLB
SCHEMBL29223826 0.77 ALDH1A1 (0.47) ALDH1A1KEAP1NPC1RAB9APOLB

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-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed