SCHEMBL8973534

SCHEMBL8973534

CCOP(=O)(OCC)C(Nc1ccc(Cl)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.56
CA1 P00915 10/20 0.56
CA2 P00918 10/20 0.56
CA9 Q16790 10/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HMGCR P04035 1/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.48
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL8766175 0.88 CA12 (0.57) CA12CA1CA2CA9HMGCR
SCHEMBL8766182 0.81 CA12 (0.39) CA12CA1CA2CA9L3MBTL1
SCHEMBL7119145 0.81 HMGCR (0.46) L3MBTL1HMGCRMAPTKDM4EPTPN2
SCHEMBL9403099 0.78 HMGCR (0.45) CA12CA1CA2CA9HMGCR
SCHEMBL8011719 0.73 HMGCR (0.51) HMGCRKDM4EEPHX2
SCHEMBL11512432 0.72 HMGCR (0.46) HMGCRMAPTEPHX2
SCHEMBL8766613 0.72 HMGCR (0.49) HMGCRMAPTKDM4EPOLB
SCHEMBL9418530 0.71 HMGCR (0.60) CA1CA2L3MBTL1HMGCRMAPT
SCHEMBL8015604 0.71 GAA (0.48) HMGCRMAPT
SCHEMBL8003353 0.70 HMGCR (0.47) L3MBTL1HMGCRMAPT

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-0703239-A1 Aminomethylphosphonic and aminomethylphosphinic acids derivatives and their use in the treatment of degenerative articular diseases HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-27 EP disclosed