SCHEMBL9762273

SCHEMBL9762273

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
ADRB2 P07550 5/20 0.39
ADRB1 P08588 3/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9761934 0.97 NPSR1 (0.43) NPSR1THRATHRBADRB2ADRB1
SCHEMBL9760612 0.95 THRA (0.52) NPSR1THRATHRBADRB2ADRB1
SCHEMBL9762305 0.95 THRA (0.52) NPSR1THRATHRBADRB2ADRB1
SCHEMBL9760565 0.93 NPSR1 (0.46) NPSR1THRATHRBADRB2PPARA
SCHEMBL9762346 0.93 NPSR1 (0.47) NPSR1THRATHRBADRB2PPARA
SCHEMBL9761855 0.92 THRA (0.49) NPSR1THRATHRBADRB2ADRB1
SCHEMBL9760514 0.92 THRA (0.49) NPSR1THRATHRBADRB2ADRB1
SCHEMBL9761996 0.92 NPSR1 (0.45) NPSR1THRATHRBADRB2PPARA
SCHEMBL9761118 0.91 THRA (0.49) NPSR1THRATHRBPPARAPPARG
SCHEMBL9760418 0.91 THRA (0.49) NPSR1THRATHRBPPARAPPARG

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