SCHEMBL28711920

SCHEMBL28711920

COCC(=O)OCC(F)Br

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL9936962 0.78 CYP3A4 (0.33) TSHRTDP1CYP3A4ATM
SCHEMBL4763305 0.76 TSHR (0.47) TSHRTDP1L3MBTL1KDM4E
SCHEMBL633254 0.74 MAPT (0.50) TSHRTDP1L3MBTL1KDM4E
SCHEMBL3307290 0.73
SCHEMBL9935949 0.72 TSHR (0.38) TSHRTDP1L3MBTL1
SCHEMBL13141065 0.71 TSHR (0.38) TSHRKDM4E
SCHEMBL8946551 0.71 LMNA (0.53) KDM4E
SCHEMBL22355976 0.70
SCHEMBL12172802 0.69
SCHEMBL28591226 0.68 CYP3A4 (0.70) TSHRTDP1CYP3A4ATML3MBTL1

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
CN-114591223-A Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-06-07 CN disclosed
CN-109715630-B Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-02-22 CN disclosed