SCHEMBL21777927

SCHEMBL21777927

CCC1(C(=O)ONCc2ccc(C(F)(F)F)cc2)CN(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
PPARA Q07869 5/20 0.38
PPARG P37231 3/20 0.38
EPHX2 P34913 2/20 0.38
MAPK14 Q16539 1/20 0.37
KCNH2 Q12809 1/20 0.37
TEAD1 P28347 1/20 0.37
FFAR1 O14842 1/20 0.37
MTOR P42345 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
LSS P48449 1/20 0.36
FAAH O00519 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL21829475 0.87 MAPT (0.43) P2RX7PPARAPPARG
SCHEMBL21777929 0.75 EPHX2 (0.43) P2RX7PPARAPPARGEPHX2MAPK14
SCHEMBL6921088 0.72 LSS (0.48) P2RX7PPARAPPARGEPHX2MAPK14
SCHEMBL21777963 0.70 TEAD1 (0.47) P2RX7KCNH2TEAD1HRH3
SCHEMBL21777965 0.70 TEAD1 (0.47) P2RX7KCNH2TEAD1HRH3
SCHEMBL21830210 0.70 MAPT (0.44)
SCHEMBL21778023 0.70 KCNH2 (0.41) PPARAPPARGEPHX2KCNH2TEAD1
SCHEMBL29116611 0.69 ACE (0.39) PPARAPPARGEPHX2MAPK14FFAR1
SCHEMBL28564046 0.68 P2RX7 (0.45) P2RX7PPARAPPARGEPHX2KCNH2
SCHEMBL29196384 0.67 ALDH1A1 (0.47) PPARAPPARGEPHX2MAPK14KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3843842-A1 CARDIAC SARCOMERE INHIBITORS Cytokinetics, Inc. (US) 2021-07-07 EP disclosed
WO-2020047447-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2020-03-05 WO disclosed