SCHEMBL11828913

SCHEMBL11828913

COc1cc(C[C@@H](NC(=O)c2ccccc2)C(=O)O)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.60
CA2 P00918 4/20 0.55
CA1 P00915 1/20 0.55
ACE P12821 2/20 0.53
FPR2 P25090 1/20 0.52
FOS P01100 1/20 0.51
TTR P02766 1/20 0.51
JUN P05412 1/20 0.51
NR3C1 P04150 1/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
MME P08473 1/20 0.51
HCRTR2 O43614 1/20 0.50
GPR132 Q9UNW8 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
PTPN2 P17706 1/20 0.50
CDC25B P30305 1/20 0.50

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
SCHEMBL11320091 1.00 PTPN1 (0.60) PTPN1CA2CA1ACEFPR2
SCHEMBL7824676 1.00 PTPN1 (0.60) PTPN1CA2CA1ACEFPR2
SCHEMBL7814592 0.90 FPR2 (0.63) PTPN1CA2ACEFPR2HCRTR2
SCHEMBL8412092 0.90 FPR2 (0.63) PTPN1CA2ACEFPR2HCRTR2
SCHEMBL10449482 0.90 FPR2 (0.63) PTPN1CA2ACEFPR2HCRTR2
SCHEMBL28299473 0.88 CA2 (0.56) PTPN1CA2CA1ACEFPR2
SCHEMBL11316966 0.85 FOS (0.56) CA2FPR2FOSTTRJUN
SCHEMBL11316963 0.85 FOS (0.56) CA2FPR2FOSTTRJUN
SCHEMBL10441905 0.84 CA2 (0.73) PTPN1CA2CA1ACEMME
SCHEMBL8409216 0.84 CA2 (0.73) PTPN1CA2CA1ACEMME

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
US-3969397-A Process for the preparation of l-dopa HOFFMANN-LA ROCHE INC. (US) 1976-07-13 US claimed