SCHEMBL2317575

SCHEMBL2317575

Cc1ccc(C[C@@H](CC(=O)O)NC(=O)Cc2ccc3ccccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 0.53
▸ FFAR2 O15552 1/20 0.53
▸ PIN1 Q13526 3/20 0.52
▸ PSMB8 P28062 1/20 0.51
▸ PSMB5 P28074 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.50
▸ MAPK8 P45983 1/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ HIPK1 Q86Z02 1/20 0.48
▸ RIOK2 Q9BVS4 1/20 0.48
▸ SNRK Q9NRH2 1/20 0.48
▸ KEAP1 Q14145 2/20 0.47
▸ NFE2L2 Q16236 2/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ MMEL1 Q495T6 1/20 0.46

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
SCHEMBL2317585 1.00 MME (0.53) MMEFFAR2PIN1PSMB8PSMB5
SCHEMBL2320218 0.95 PIN1 (0.55) MMEFFAR2PIN1PSMB8PSMB5
SCHEMBL2320209 0.95 PIN1 (0.55) MMEFFAR2PIN1PSMB8PSMB5
SCHEMBL2315766 0.90 MME (0.55) MMEFFAR2PIN1NR1H4MAPK8
SCHEMBL2317412 0.90 MME (0.55) MMEFFAR2PIN1NR1H4MAPK8
SCHEMBL2315763 0.90 MME (0.55) MMEFFAR2PIN1NR1H4MAPK8
SCHEMBL2312829 0.89 PIN1 (0.54) MMEFFAR2PIN1NR1H4MAPK8
SCHEMBL2312838 0.89 PIN1 (0.54) MMEFFAR2PIN1NR1H4MAPK8
SCHEMBL2317301 0.89 PSMB8 (0.64) MMEFFAR2PSMB8PSMB5KEAP1
SCHEMBL2317300 0.89 PSMB8 (0.64) MMEFFAR2PSMB8PSMB5KEAP1

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
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 — — WO claimed
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