SCHEMBL9761935

SCHEMBL9761935

CCCCCCCCc1ccc(C(=O)Oc2ccc(C(C)OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 2/20 0.54
THRB P10828 8/20 0.51
THRA P10827 7/20 0.51
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
MGLL Q99685 1/20 0.46
RARB P10826 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RARA P10276 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL9761317 1.00 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTHRBTHRANFKB1
SCHEMBL9761430 1.00 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTHRBTHRANFKB1
SCHEMBL9762222 1.00 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTHRBTHRANFKB1
SCHEMBL9761514 0.96 MAPT (0.56) SMN1; SMN2MAPTTHRBTHRANFKB1
SCHEMBL9760847 0.96 MAPT (0.56) SMN1; SMN2MAPTTHRBTHRANFKB1
SCHEMBL9760282 0.96 MAPT (0.56) SMN1; SMN2MAPTTHRBTHRANFKB1
SCHEMBL9760351 0.96 MAPT (0.56) SMN1; SMN2MAPTTHRBTHRANFKB1
SCHEMBL9761109 0.96 MAPT (0.56) SMN1; SMN2MAPTTHRBTHRANFKB1
SCHEMBL9762036 0.96 MAPT (0.56) SMN1; SMN2MAPTTHRBTHRANFKB1
SCHEMBL9760823 0.96 MAPT (0.56) SMN1; SMN2MAPTTHRBTHRANFKB1

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