SCHEMBL8943435

SCHEMBL8943435

CCCCCCCCOc1ccc(OCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.82
TSHR P16473 1/20 0.82
PLA2G4B P0C869 8/20 0.80
RARB P10826 3/20 0.76
PLA2G4A P47712 1/20 0.72
RXRA P19793 1/20 0.70
RXRB P28702 1/20 0.70
NPC1 O15118 1/20 0.66
POLB P06746 1/20 0.66
RAB9A P51151 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HTT P42858 1/20 0.62
NR4A2 P43354 2/20 0.62
NR4A1 P22736 1/20 0.62
NR4A3 Q92570 1/20 0.62

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
SCHEMBL9664886 1.00 TP53 (0.82) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL4448578 0.96 RARB (0.84) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10334335 0.96 RARB (0.84) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10338532 0.96 RARB (0.84) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL3625733 0.91 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL371494 0.91 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1322922 0.91 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10777726 0.91 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL7470745 0.91 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL503352 0.91 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A

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
EP-0467721-B1 Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same MITSUBISHI RAYON CO (JP) 1996-03-27 EP disclosed
US-5480580-A COMPOUNDS FOR VISUAL AIDS WITH GOOD STABILITY MITSUBISHI RAYON COMPANY LTD. (JP) 1996-01-02 US disclosed
EP-0467721-A1 Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same MITSUBISHI RAYON CO., LTD (JP) 1992-01-22 EP disclosed