SCHEMBL8671908

SCHEMBL8671908

COc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.72
CA1 P00915 3/20 0.64
PTPN1 P18031 2/20 0.64
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
LNPEP Q9UIQ6 1/20 0.58
FPR2 P25090 1/20 0.55
KMT2A Q03164 1/20 0.55
GPR132 Q9UNW8 1/20 0.54
LDHA P00338 1/20 0.54
FOLH1 Q04609 1/20 0.53
CTSL P07711 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
PPARG P37231 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53

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
SCHEMBL8667629 1.00 CA2 (0.72) CA2CA1PTPN1CA12CA9
SCHEMBL11582404 0.92 CA2 (0.63) CA2CA1PTPN1FPR2KMT2A
SCHEMBL11582403 0.92 CA2 (0.63) CA2CA1PTPN1FPR2KMT2A
SCHEMBL11765307 0.91 CA2 (0.65) CA2CA1PTPN1CA12CA9
SCHEMBL11765285 0.91 CA2 (0.62) CA2CA1PTPN1FPR2KMT2A
SCHEMBL9461442 0.89 PTPN1 (0.73) CA2PTPN1FPR2KMT2AGPR132
SCHEMBL9461988 0.89 PTPN1 (0.73) CA2PTPN1FPR2KMT2AGPR132
SCHEMBL3719424 0.89 CA2 (0.72) CA2CA1PTPN1FPR2KMT2A
SCHEMBL3719426 0.89 CA2 (0.72) CA2CA1PTPN1FPR2KMT2A
SCHEMBL9461443 0.89 PTPN1 (0.73) CA2PTPN1FPR2KMT2AGPR132

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767158-A FOR BLEACHING SKIN SHISEIDO CO., LTD. (JP) 1998-06-16 US claimed
US-5767158-A FOR BLEACHING SKIN SHISEIDO CO., LTD. (JP) 1998-06-16 US disclosed
EP-0728469-A2 An endermic liniment SHISEIDO COMPANY LIMITED (JP) 1996-08-28 EP disclosed