SCHEMBL9760467

SCHEMBL9760467

CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C(C)OCC)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ACACB O00763 7/20 0.49
ACACA Q13085 7/20 0.49
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
THRB P10828 1/20 0.46
RARB P10826 2/20 0.44

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
SCHEMBL9762152 1.00 MAPT (0.53) MAPTSMN1; SMN2ACACBACACAPRSS1
SCHEMBL9762046 1.00 MAPT (0.53) MAPTSMN1; SMN2ACACBACACAPRSS1
SCHEMBL9761925 1.00 MAPT (0.53) MAPTSMN1; SMN2ACACBACACAPRSS1
SCHEMBL9761461 0.96 LMNA (0.50) MAPTSMN1; SMN2ACACBPRSS1ACR
SCHEMBL9761195 0.96 LMNA (0.50) MAPTSMN1; SMN2ACACBPRSS1ACR
SCHEMBL9760896 0.95 LMNA (0.53) MAPTSMN1; SMN2PRSS1ACRNPC1
SCHEMBL9761886 0.94 MAPT (0.54) MAPTSMN1; SMN2ACACBACACAPRSS1
SCHEMBL9760669 0.94 MAPT (0.54) MAPTSMN1; SMN2ACACBACACAPRSS1
SCHEMBL9761946 0.94 MAPT (0.54) MAPTSMN1; SMN2ACACBACACAPRSS1
SCHEMBL9762286 0.94 MAPT (0.54) MAPTSMN1; SMN2ACACBACACAPRSS1

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