SCHEMBL9762136

SCHEMBL9762136

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ACACA Q13085 7/20 0.50
ACACB O00763 7/20 0.50
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
RARB P10826 3/20 0.45

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
SCHEMBL9761435 1.00 MAPT (0.54) MAPTSMN1; SMN2ACACAACACBPRSS1
SCHEMBL9760472 1.00 MAPT (0.54) MAPTSMN1; SMN2ACACAACACBPRSS1
SCHEMBL9761181 1.00 MAPT (0.54) MAPTSMN1; SMN2ACACAACACBPRSS1
SCHEMBL9760849 0.96 LMNA (0.51) MAPTSMN1; SMN2ACACBPRSS1ACR
SCHEMBL9761464 0.96 LMNA (0.51) MAPTSMN1; SMN2ACACBPRSS1ACR
SCHEMBL9761239 0.95 LMNA (0.54) MAPTSMN1; SMN2PRSS1ACRNPC1
SCHEMBL9760386 0.95 LMNA (0.54) MAPTSMN1; SMN2PRSS1ACRNPC1
SCHEMBL9762268 0.95 LMNA (0.54) MAPTSMN1; SMN2PRSS1ACRNPC1
SCHEMBL9760371 0.92 NPC1 (0.59) MAPTSMN1; SMN2PRSS1ACRNPC1
SCHEMBL9761685 0.92 NPC1 (0.59) MAPTSMN1; SMN2PRSS1ACRNPC1

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