SCHEMBL21789080

SCHEMBL21789080

CC1(NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC2 Q92769 2/20 0.41
PIK3R1 P27986 4/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
HDAC1 Q13547 1/20 0.39
CYP11B2 P19099 1/20 0.38
EPHX1 P07099 1/20 0.38
USP30 Q70CQ3 1/20 0.37
SCD5 Q86SK9 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1994522 0.91 USP2 (0.47) EPHX2USP2SMN1; SMN2HDAC2HDAC1
SCHEMBL3295187 0.88 EPHX2 (0.36) EPHX2USP2SMN1; SMN2HDAC2PIK3R1
SCHEMBL13737672 0.88 EPHX2 (0.36) EPHX2USP2SMN1; SMN2HDAC2PIK3R1
SCHEMBL27947023 0.88 EPHX2 (0.36) EPHX2USP2SMN1; SMN2HDAC2PIK3R1
SCHEMBL24340106 0.84 USP2 (0.44) EPHX2USP2SMN1; SMN2HDAC2PIK3R1
SCHEMBL31566859 0.84 USP2 (0.44) EPHX2USP2SMN1; SMN2HDAC2PIK3R1
SCHEMBL31566671 0.84 USP2 (0.44) EPHX2USP2SMN1; SMN2HDAC2PIK3R1
SCHEMBL17682649 0.84 KDM5A (0.47) EPHX2USP2SMN1; SMN2HDAC2PIK3R1
SCHEMBL31566655 0.83 EPHX2 (0.41) EPHX2USP2SMN1; SMN2HDAC2PIK3R1
SCHEMBL16887631 0.81 CYP4F2 (0.40) EPHX2USP2SMN1; SMN2

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-2020047447-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2020-03-05 WO disclosed