SCHEMBL9761195

SCHEMBL9761195

CCCOc1ccc(C(=O)Oc2ccc(C(C)OCC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
NPC1 O15118 2/20 0.50
CYP2C9 P11712 2/20 0.50
PRSS1 P07477 1/20 0.50
ACR P10323 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 5/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
PLK1 P53350 1/20 0.47
THRB P10828 1/20 0.46
MAPK1 P28482 2/20 0.46
ACACB O00763 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
SCHEMBL9761461 1.00 LMNA (0.50) LMNAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9762152 0.96 MAPT (0.53) LMNAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9761925 0.96 MAPT (0.53) LMNAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9760467 0.96 MAPT (0.53) LMNAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9762046 0.96 MAPT (0.53) LMNAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9761512 0.95 LMNA (0.56) LMNAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9760875 0.93 LMNA (0.51) LMNAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9762437 0.93 LMNA (0.51) LMNAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9761635 0.92 LMNA (0.56) LMNAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9760896 0.91 LMNA (0.53) LMNAMAPTSMN1; SMN2CYP1A2CYP2C19

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