SCHEMBL9761303

SCHEMBL9761303

CCCCc1ccc(OC(=O)c2ccc(-c3ccc(C(C)OC)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RARB P10826 6/20 0.50
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RARA P10276 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
THRB P10828 4/20 0.45
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
THRA P10827 1/20 0.41
TP53 P04637 1/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
CYP4A11 Q02928 1/20 0.41
PLK1 P53350 1/20 0.41

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
SCHEMBL9761850 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9762384 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9760791 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9761074 0.96 MAPT (0.57) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9761544 0.96 MAPT (0.50) MAPTSMN1; SMN2RARBKMT2ATHRB
SCHEMBL9761028 0.96 MAPT (0.50) MAPTSMN1; SMN2RARBKMT2ATHRB
SCHEMBL9760351 0.95 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9761109 0.95 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9762036 0.95 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9760282 0.95 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1

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