SCHEMBL11039236

SCHEMBL11039236

CCCCCCCOc1ccc(C(=O)O)c(-c2ccc(-c3ccc(C(=O)OCC(C)CC)cc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.58
RARB P10826 3/20 0.52
MAPT P10636 1/20 0.51
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 2/20 0.46
PLK1 P53350 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL10583502 0.91 PTPN11 (0.55) PTPN11RARBMAPTTP53TSHR
SCHEMBL9627339 0.91 PTPN11 (0.55) PTPN11RARBMAPTTP53TSHR
SCHEMBL9647397 0.88 PTPN11 (0.58) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9626895 0.87 MCL1 (0.52) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9309693 0.86 RARB (0.61) RARBMAPTTP53TSHRPLA2G4B
SCHEMBL8956468 0.86 RARB (0.61) RARBMAPTTP53TSHRPLA2G4B
SCHEMBL9143120 0.85 PTPN11 (0.54) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9808858 0.85 PTPN11 (0.59) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL11023846 0.85 MAPT (0.52) RARBMAPTPLK1
SCHEMBL9193087 0.84 PTPN11 (0.60) PTPN11RARBTP53TSHRPLA2G4B

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
EP-0163229-A2 Ferroelectric liquid crystal composition HITACHI, LTD. (JP) 1985-12-04 EP disclosed