SCHEMBL7434264

SCHEMBL7434264

COC(=O)CC[C@H](NCC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.37
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 2/20 0.36
CA14 Q9ULX7 3/20 0.36
ALOX5 P09917 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SLC1A1 P43005 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
PTPRC P08575 2/20 0.32
CTSK P43235 2/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL7428145 1.00 CA12 (0.37) CA12CA2CA1CA9TSHR
SCHEMBL21271433 0.87 TSHR (0.44) CA12CA2CA1CA9TSHR
SCHEMBL21271432 0.87 TSHR (0.44) CA12CA2CA1CA9TSHR
SCHEMBL21271435 0.87 TSHR (0.44) CA12CA2CA1CA9TSHR
SCHEMBL7433794 0.82 CTSK (0.38) CA12CA2CA1CA14CYP1A2
SCHEMBL7433793 0.82 CTSK (0.38) CA12CA2CA1CA14CYP1A2
SCHEMBL13407456 0.82 CA12 (0.35) CA12CA2CA14CYP1A2CYP2C9
SCHEMBL7442712 0.82 CTSS (0.44) TSHRCYP2C9CYP2C19HTTL3MBTL1
SCHEMBL7442709 0.82 CTSS (0.44) TSHRCYP2C9CYP2C19HTTL3MBTL1
SCHEMBL30841301 0.81 MEN1 (0.47) CA12CA2CA1CA9CA14

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
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed