SCHEMBL9689040

SCHEMBL9689040

CCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)c(CCCOCCCCCCC)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.69
RARB P10826 5/20 0.63
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
PLA2G4B P0C869 6/20 0.59
PLA2G4A P47712 1/20 0.54
SRD5A2 P31213 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
SCHEMBL8374036 0.94 PTPN11 (0.74) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9502504 0.94 PTPN11 (0.74) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9502536 0.94 PTPN11 (0.74) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL8374033 0.88 RARB (0.69) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9798004 0.85 RARB (0.67) PTPN11RARB
SCHEMBL8376751 0.83 PTPN11 (0.79) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9182254 0.83 PTPN11 (0.79) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL5355722 0.83 PTPN11 (0.79) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL7169585 0.82 PTPN11 (0.77) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL27245974 0.82 PTPN11 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5167857-A Optically active, optical modulation CANON KABUSHIKI KAISHA (JP) 1992-12-01 US claimed
EP-0175591-B1 LACTIC ACID DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING SAME AND LIQUID CRYSTAL DEVICE CANON KABUSHIKI KAISHA (JP) 1991-03-06 EP claimed
EP-0175591-A2 Lactic acid derivative, liquid crystal composition containing same and liquid crystal device CANON KABUSHIKI KAISHA (JP) 1986-03-26 EP claimed