SCHEMBL9761074

SCHEMBL9761074

CCCCCc1ccc(-c2ccc(OC(=O)c3ccc(C(C)OC)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RARB P10826 6/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RARA P10276 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50
THRB P10828 4/20 0.48
THRA P10827 1/20 0.46
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
CYP4F2 P78329 1/20 0.42

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
SCHEMBL9760823 0.99 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9760665 0.99 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9760554 0.99 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9760351 0.99 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9762036 0.99 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9761514 0.99 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9760282 0.99 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9761109 0.99 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9760847 0.99 MAPT (0.56) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL9762131 0.99 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