SCHEMBL9762011

SCHEMBL9762011

CCCCCCCCc1ccccc1OC(=O)c1ccc(C(C)OCCCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
NPSR1 Q6W5P4 1/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
MAPT P10636 2/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9762033 1.00 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9760810 0.98 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9761432 0.98 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9761523 0.98 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9761211 0.98 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9760493 0.98 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9762237 0.98 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9760412 0.98 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9760618 0.98 THRA (0.52) THRATHRBNPSR1PPARAPPARG
SCHEMBL9762361 0.98 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