SCHEMBL9688524

SCHEMBL9688524

CCCCCCCCOc1ccc(-c2cccc(CCCOCCCCCCC)c2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.53
PPARA Q07869 4/20 0.50
BID P55957 3/20 0.50
MCL1 Q07820 3/20 0.50
BCL2L1 Q07817 2/20 0.50
BAK1 Q16611 2/20 0.50
KAT8 Q9H7Z6 2/20 0.50
PPARG P37231 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
EP300 Q09472 1/20 0.50
KAT2A Q92830 1/20 0.50
KAT2B Q92831 1/20 0.50
KAT5 Q92993 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
PLA2G4B P0C869 1/20 0.49
PTPN11 Q06124 2/20 0.48

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
SCHEMBL10865252 1.00 RARB (0.53) RARBPPARABIDMCL1BCL2L1
SCHEMBL10696052 0.82 RARB (0.59) RARBPPARABIDMCL1BCL2L1
Terephthalic Acid SCHEMBL9455932 0.81 RARB (0.70) RARBPPARATP53TSHRPLA2G4B
SCHEMBL9509930 0.81 RARB (0.61) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL9455934 0.81 PTPN11 (0.57) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL9715185 0.80 BID (0.67) PPARABIDMCL1BCL2L1BAK1
SCHEMBL9689040 0.80 PTPN11 (0.69) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL25185377 0.79 FOLH1 (0.66) PPARABIDMCL1BCL2L1BAK1
SCHEMBL25264013 0.77 FOLH1 (0.68) PPARABIDMCL1BCL2L1BAK1
SCHEMBL10340829 0.76 RARB (0.52) RARBTP53TSHRPLA2G4BPTPN11

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 4 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 disclosed
EP-0175591-B1 LACTIC ACID DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING SAME AND LIQUID CRYSTAL DEVICE CANON KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed
US-4775223-A DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 1988-10-04 US disclosed
EP-0175591-A2 Lactic acid derivative, liquid crystal composition containing same and liquid crystal device CANON KABUSHIKI KAISHA (JP) 1986-03-26 EP disclosed