SCHEMBL9762446

SCHEMBL9762446

CCCCc1ccccc1OC(=O)c1ccc(-c2ccc(C(C)OCCC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
RARB P10826 2/20 0.38
CASR P41180 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRB2 P07550 1/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34

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
SCHEMBL9761526 0.97 NPSR1 (0.43) NPSR1THRATHRBRARBCASR
SCHEMBL9761996 0.97 NPSR1 (0.45) NPSR1THRATHRBMAPTSMN1; SMN2
SCHEMBL9762574 0.96 THRA (0.48) NPSR1THRATHRBRARBCASR
SCHEMBL9761023 0.96 THRA (0.48) NPSR1THRATHRBRARBCASR
SCHEMBL9760785 0.96 THRA (0.48) NPSR1THRATHRBRARBCASR
SCHEMBL9761262 0.96 THRA (0.45) NPSR1THRATHRBRARBCASR
SCHEMBL9762159 0.95 THRA (0.46) NPSR1THRATHRBRARBMAPT
SCHEMBL9761483 0.95 THRA (0.46) NPSR1THRATHRBRARBMAPT
SCHEMBL9761588 0.95 THRA (0.46) NPSR1THRATHRBRARBMAPT
SCHEMBL9761585 0.95 THRA (0.46) NPSR1THRATHRBRARBMAPT

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