SCHEMBL9323966

SCHEMBL9323966

CCCCCCCCCCCCCCCCCCOc1ccc(OCCCOc2ccc(OCc3ccccc3)cc2)c(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 10/20 0.60
S1PR3 Q99500 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN6 P29350 1/20 0.54
PLA2G4B P0C869 3/20 0.53
PLK1 P53350 1/20 0.53
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL9402829 0.94 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLK1
SCHEMBL9402749 0.94 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLK1
SCHEMBL9402747 0.94 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLK1
Hydrochloric Acid SCHEMBL9402534 0.93 PTPN11 (0.62) PTPN11S1PR3PTPN1PTPN6PLK1
Hydrochloric Acid SCHEMBL9402715 0.93 PTPN11 (0.62) PTPN11S1PR3PTPN1PTPN6PLK1
SCHEMBL9324047 0.92 PTPN11 (0.58) PTPN11PLA2G4BPLK1TP53TSHR
SCHEMBL8659844 0.90 FOLH1 (0.59) PTPN11TSHR
SCHEMBL9324880 0.90 PTPN11 (0.51) PTPN11PLA2G4BPLK1
SCHEMBL9402553 0.88 PTPN11 (0.62) PTPN11S1PR3PTPN1PTPN6PLA2G4B
SCHEMBL9325744 0.88 NR5A1 (0.61) PTPN11S1PR3PTPN1PTPN6PLA2G4B

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-5374772-A Skin disorders, antiinflammatory agents, cardiovascular disorders HOFFMANN-LAROCHE INC. (US) 1994-12-20 US disclosed
EP-0601385-A1 Disubstituted benzoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP disclosed
US-5298652-A N-substituted glycines, inhibitors of phospholipase A2 HOFFMANN-LA ROCHE INC. (US) 1994-03-29 US disclosed