SCHEMBL8813451

SCHEMBL8813451

CCC(C)CCCOc1ccc(CNC(=O)c2ccc(OP(=O)(O)O)cc2)cc1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.62
YES1 P07947 1/20 0.40
STAT5A P42229 1/20 0.40
STAT5B P51692 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
GRB2 P62993 1/20 0.39

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
SCHEMBL8812189 0.92 SRC (0.65) SRCYES1STAT5ASTAT5BGRB2
SCHEMBL8812940 0.80 SRC (0.66) SRCSTAT5ASTAT5B
SCHEMBL8420879 0.79 SRC (0.68) SRCSTAT5ASTAT5B
SCHEMBL8810755 0.78 SRC (0.63) SRCSTAT5ASTAT5B
SCHEMBL8417324 0.76 SRC (1.00) SRCYES1
SCHEMBL8421232 0.69 SRC (1.00) SRCYES1STAT5ASTAT5B
SCHEMBL8815818 0.66 SRC (0.76) SRCYES1
SCHEMBL8815972 0.66 SRC (0.79) SRCYES1
SCHEMBL12635593 0.64 PTPN11 (0.52)
SCHEMBL12636157 0.63 KDM4E (0.48)

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
WO-1997012903-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING THE BINDING OF PROTEINS CONTAINING AN SH2 DOMAIN TO COGNATE PHOSPHORYLATED PROTEINS WARNER-LAMBERT COMPANY (US) 1997-04-10 WO claimed