SCHEMBL27353303

SCHEMBL27353303

CC(C)(C)OC(=O)Nn1ccc(S(=O)(=O)O)cc1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.37
CA12 O43570 8/20 0.36
CA1 P00915 8/20 0.36
CA2 P00918 6/20 0.36
CA9 Q16790 5/20 0.36
ALOX5 P09917 1/20 0.35
CA7 P43166 3/20 0.35
CA14 Q9ULX7 3/20 0.35
STS P08842 3/20 0.34
GPR119 Q8TDV5 2/20 0.34
CTSB P07858 1/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
BRD9 Q9H8M2 1/20 0.33

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
SCHEMBL27310864 0.76 ALDH1A1 (0.35) CA12CA1CA2CA7CA14
SCHEMBL27331213 0.73 GPR119 (0.33) CA12CA1CA2CA9CA14
SCHEMBL27313130 0.70 CCR5 (0.32) CA12CA1CA2CA9GPR119
SCHEMBL28046768 0.70 RAB9A (0.40) CTSLGPR119CTSB
SCHEMBL27829309 0.68 CA1 (0.44) CA12CA1CA2CA9
SCHEMBL20642214 0.68 KAT6A (0.56) CA12CA1CA2CA9
SCHEMBL9923086 0.67 RAB9A (0.36) CA12CA1CA7CA14
SCHEMBL8836159 0.67 NOTUM (0.42) CA12CA1CA2CA9CA7
SCHEMBL27266122 0.67 ALDH1A1 (0.38) CA12CA1CA2CA7CA14
SCHEMBL7463790 0.66 NFKB1 (0.38) CTSLCA12CA1CA2CA9

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-1050023-A The method for preparing cephalosporin derivative BEECHAM GROUP PLC (GB) 1991-03-20 CN claimed
CN-1050023-A The method for preparing cephalosporin derivative BEECHAM GROUP PLC (GB) 1991-03-20 CN disclosed