SCHEMBL7081173

SCHEMBL7081173

NC(=O)CCc1c(Cl)ccc2c1CC(=O)O2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
CA2 P00918 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
SLC22A12 Q96S37 1/20 0.31
CAPN1 P07384 1/20 0.31
ATM Q13315 1/20 0.31
RHEB Q15382 1/20 0.30

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
SCHEMBL6956175 0.77 MTNR1B (0.37)
SCHEMBL7080318 0.75 MTNR1A (0.38) CA12CA9CAPN1
SCHEMBL7083881 0.73
SCHEMBL6017700 0.70 CAPN1 (0.40) MAOASLC22A12CAPN1ATMRHEB
SCHEMBL2852938 0.68 TAAR1 (0.56) MAOASLC22A12CAPN1ATM
SCHEMBL23925823 0.62 NPSR1 (0.41) CA12CA9
SCHEMBL3393678 0.60 PYGL (0.57) CAPN1
SCHEMBL31420517 0.60 NOS2 (0.39) MAOASLC22A12CAPN1ATM
SCHEMBL1429057 0.58 HSD17B10 (0.38) CA12CA9
SCHEMBL2469838 0.58 TAAR1 (0.55) ATM

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-0901483-B1 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LTD (GB) 2003-07-09 EP claimed