SCHEMBL9761024

SCHEMBL9761024

CCCCc1ccccc1OC(=O)c1ccc(C(C)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PPARA Q07869 2/20 0.39
SLC6A3 Q01959 1/20 0.38
ADRB2 P07550 2/20 0.38
PPARG P37231 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37

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
SCHEMBL9761298 0.96 NPSR1 (0.44) NPSR1THRATHRBPPARASLC6A3
SCHEMBL9762146 0.95 THRA (0.53) NPSR1THRATHRBPPARAADRB2
SCHEMBL9760479 0.95 THRA (0.53) NPSR1THRATHRBPPARAADRB2
SCHEMBL9761271 0.95 THRA (0.53) NPSR1THRATHRBPPARAADRB2
SCHEMBL9760534 0.95 THRA (0.53) NPSR1THRATHRBPPARAADRB2
SCHEMBL9761656 0.93 NPSR1 (0.48) NPSR1THRATHRBPPARASLC6A3
SCHEMBL9762382 0.92 THRA (0.50) NPSR1THRATHRBPPARAADRB2
SCHEMBL9760315 0.92 THRA (0.50) NPSR1THRATHRBPPARAADRB2
SCHEMBL9761542 0.92 THRA (0.50) NPSR1THRATHRBPPARAADRB2
SCHEMBL9760952 0.92 THRA (0.50) NPSR1THRATHRBPPARAADRB2

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