SCHEMBL21777929

SCHEMBL21777929

CCOC(=O)C1(NCc2ccc(C(F)(F)F)cc2)CN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
PPARG P37231 2/20 0.43
KCNQ2 O43526 3/20 0.41
KCNQ3 O43525 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LSS P48449 1/20 0.39
P2RX7 Q99572 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARA Q07869 1/20 0.38
FAAH O00519 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MAPK14 Q16539 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL21789094 0.88 PPARG (0.44) EPHX2PPARGKCNQ2KCNQ3KDM4E
SCHEMBL21777896 0.87 MAPT (0.46) EPHX2PPARGKCNQ2KCNQ3KDM4E
SCHEMBL21789124 0.86 EPHX2 (0.47) EPHX2PPARGKCNQ2KCNQ3KDM4E
SCHEMBL21777316 0.82 EPHX2 (0.45) EPHX2PPARGKCNQ2KCNQ3KDM4E
SCHEMBL16838991 0.82 SSTR3 (0.44) EPHX2PPARGKCNQ2KCNQ3KDM4E
SCHEMBL21778023 0.81 KCNH2 (0.41) EPHX2PPARGALDH1A1PPARAFAAH
SCHEMBL29116612 0.78 PPARG (0.41) EPHX2PPARGKCNQ2KCNQ3KDM4E
SCHEMBL21777960 0.78 FAAH (0.45) EPHX2FAAHPOLBGAA
SCHEMBL21778119 0.78 FAAH (0.45) EPHX2FAAHPOLBGAA
SCHEMBL21777927 0.75 P2RX7 (0.38) EPHX2PPARGLSSP2RX7PPARA

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