SCHEMBL9761996

SCHEMBL9761996

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.37
ADRB2 P07550 2/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9762446 0.97 NPSR1 (0.42) NPSR1THRATHRBLMNAADRB2
SCHEMBL9760565 0.96 NPSR1 (0.46) NPSR1THRATHRBLMNAADRB2
SCHEMBL9762220 0.95 THRA (0.51) NPSR1THRATHRBADRB2PPARA
SCHEMBL9761275 0.95 THRA (0.51) NPSR1THRATHRBADRB2PPARA
SCHEMBL9761583 0.95 THRA (0.51) NPSR1THRATHRBADRB2PPARA
SCHEMBL9762369 0.94 THRA (0.49) NPSR1THRATHRBLMNAPPARA
SCHEMBL9761897 0.94 THRA (0.49) NPSR1THRATHRBLMNAPPARA
SCHEMBL9760379 0.94 THRA (0.49) NPSR1THRATHRBLMNAPPARA
SCHEMBL9762115 0.94 THRA (0.49) NPSR1THRATHRBLMNAPPARA
SCHEMBL9760418 0.94 THRA (0.49) NPSR1THRATHRBLMNAPPARA

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