SCHEMBL9761929

SCHEMBL9761929

CCCCCCCCCCCCCCCCCCCCOC(C)c1ccc(C(=O)O)cc1.CCCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.72
TP53 P04637 1/20 0.65
TSHR P16473 1/20 0.65
PLA2G4B P0C869 7/20 0.64
PLA2G4A P47712 1/20 0.58
PTPN11 Q06124 3/20 0.55
HTT P42858 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
SCHEMBL9761346 1.00 RARB (0.72) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL10338164 0.98 RARB (0.69) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9761174 0.92 RARB (0.70) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9329247 0.90 RARB (0.65) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9331239 0.90 RARB (0.65) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9328575 0.90 RARB (0.65) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9330512 0.90 RARB (0.65) RARBTP53TSHRPLA2G4BPLA2G4A
Terephthalic Acid SCHEMBL9509928 0.89 RARB (0.91) RARBTP53TSHRPLA2G4BPLA2G4A
Biphenyl SCHEMBL10535047 0.88 RARB (0.88) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8162563 0.86 TP53 (0.62) RARBTP53TSHRPLA2G4BPLA2G4A

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-0297745-B1 OPTICALLY ACTIVE ETHER DERIVATIVES, PREPARATION PROCESSES THEREFOR, LIQUID CRYSTAL MATERIALS AND AN OPTICAL SWITCHING ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
US-5013479-A Aromatic ether esters containing two or three benzene rings SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-07 US disclosed
EP-0297745-A1 Optically active ether derivatives, preparation processes therefor, liquid crystal materials and an optical switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-01-04 EP disclosed