SCHEMBL9761275

SCHEMBL9761275

CCCCCCc1ccccc1OC(=O)c1ccc(C(C)OCCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
NPSR1 Q6W5P4 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
ADRB2 P07550 5/20 0.37
ADRB1 P08588 5/20 0.37
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
LIPG Q9Y5X9 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 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
SCHEMBL9762220 1.00 THRA (0.51) THRATHRBNPSR1PPARAPPARG
SCHEMBL9761583 1.00 THRA (0.51) THRATHRBNPSR1PPARAPPARG
SCHEMBL9762574 0.97 THRA (0.48) THRATHRBNPSR1PPARAPPARG
SCHEMBL9760785 0.97 THRA (0.48) THRATHRBNPSR1PPARAPPARG
SCHEMBL9761023 0.97 THRA (0.48) THRATHRBNPSR1PPARAPPARG
SCHEMBL9760412 0.97 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9760493 0.97 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9762237 0.97 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9760810 0.97 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9760618 0.97 THRA (0.52) THRATHRBNPSR1PPARAPPARG

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