SCHEMBL9732777

SCHEMBL9732777

O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Oc1c(F)c(F)c(F)c(F)c1F)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.51
▸ EPHX2 P34913 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ MDM4 O15151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ GRB2 P62993 1/20 0.41
▸ CASP3 P42574 1/20 0.41

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
SCHEMBL9732290 0.89 PTPN1 (0.48) PTPN1EPHX2LCKMDM4TP53
SCHEMBL3868341 0.89 PTPN1 (0.46) PTPN1EPHX2MDM4TP53MDM2
SCHEMBL702055 0.88 LCK (0.55) PTPN1EPHX2LCKMDM4TP53
SCHEMBL1738291 0.88 MDM4 (0.47) PTPN1MDM4TP53MDM2CASP3
SCHEMBL5494326 0.88 MDM4 (0.47) PTPN1MDM4TP53MDM2CASP3
SCHEMBL9733380 0.87 PTPN1 (0.51) PTPN1EPHX2LCKMDM4TP53
SCHEMBL29843110 0.85 PTPN1 (0.54) PTPN1EPHX2MDM4TP53MDM2
SCHEMBL29500417 0.85 PTPN1 (0.54) PTPN1EPHX2MDM4TP53MDM2
SCHEMBL9732381 0.85 PTPN1 (0.54) PTPN1EPHX2MDM4TP53MDM2
Catechol SCHEMBL18074826 0.84 PTPN1 (0.53) PTPN1EPHX2MDM4TP53MDM2

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-5098999-A Amidation of amino acids like dopa for use as adhesives and for treatment of Parkinson*s disease HITACHI CHEMICAL COMPANY (JP) 1992-03-24 — — US disclosed
Send feedback