SCHEMBL7896540

SCHEMBL7896540

NC(CC1CCC1)c1ccccc1N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.38
PLA2G1B P04054 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
GAA P10253 1/20 0.37
MC4R P32245 5/20 0.36
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
MAP2K1 Q02750 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ACP3 P15309 1/20 0.34

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
SCHEMBL7898964 0.97 KEAP1 (0.44) KEAP1MAPK1NPC1MEN1PLA2G1B
SCHEMBL5793141 0.97 KEAP1 (0.44) KEAP1MAPK1NPC1MEN1PLA2G1B
SCHEMBL7896612 0.95 KEAP1 (0.45) KEAP1MAPK1NPC1MEN1PLA2G1B
Hydrochloric Acid SCHEMBL17871924 0.88 KEAP1 (0.39) KEAP1MAPK1NPC1MEN1PLA2G1B
SCHEMBL7895952 0.80 MEN1 (0.45) KEAP1MAPK1MEN1KMT2AGAA
SCHEMBL7898810 0.79 MEN1 (0.43) KEAP1MAPK1NPC1MEN1PLA2G1B
SCHEMBL7896616 0.79 GAA (0.42) KEAP1MAPK1NPC1MEN1KMT2A
SCHEMBL7888872 0.78 KEAP1 (0.49) KEAP1MAPK1NPC1GAAMC4R
SCHEMBL442668 0.77 MC4R (0.54) KEAP1MAPK1NPC1GAAMC4R
SCHEMBL1964089 0.77 MC4R (0.54) KEAP1MAPK1NPC1GAAMC4R

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37035-E1 HYPOGLYCEMIC AGENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-30 US disclosed
US-6143769-A ENANTIOMORPH KARL THOMAE GMBH (DE) 2000-11-07 US disclosed
US-5312924-A Compounds for lowering blood sugar and effecting metabolism DR. KARL THOMAE GMBH (DE) 1994-05-17 US disclosed
US-5216167-A Hypoglycemic agents DR. KARL THOMAE GMBH (DE) 1993-06-01 US disclosed
EP-0208200-B1 PHENYLACETIC-ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1990-04-25 EP disclosed
EP-0208200-A1 Phenylacetic-acid derivatives, pharmaceutical compositions containing them and processes for their production Dr. Karl Thomae GmbH (DE) 1987-01-14 EP disclosed