SCHEMBL9761656

SCHEMBL9761656

CCCc1ccccc1OC(=O)c1ccc(C(C)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PPARD Q03181 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 2/20 0.36
SERPINE1 P05121 1/20 0.36

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
SCHEMBL9761604 0.96 NPSR1 (0.46) NPSR1THRATHRBSLC6A3PPARD
SCHEMBL9761024 0.93 NPSR1 (0.46) NPSR1THRATHRBSLC6A3PPARG
SCHEMBL9761271 0.90 THRA (0.53) NPSR1THRATHRBPPARGPPARA
SCHEMBL9760479 0.90 THRA (0.53) NPSR1THRATHRBPPARGPPARA
SCHEMBL9760534 0.90 THRA (0.53) NPSR1THRATHRBPPARGPPARA
SCHEMBL9762146 0.90 THRA (0.53) NPSR1THRATHRBPPARGPPARA
SCHEMBL9761298 0.89 NPSR1 (0.44) NPSR1THRATHRBSLC6A3PPARA
SCHEMBL9762346 0.89 NPSR1 (0.47) NPSR1THRATHRBSLC6A3PPARD
SCHEMBL9760888 0.88 NPSR1 (0.46) NPSR1THRATHRBSLC6A3PPARD
SCHEMBL9760315 0.87 THRA (0.50) NPSR1THRATHRBPPARGPPARA

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