SCHEMBL9761544

SCHEMBL9761544

CCCCc1ccc(C(=O)Oc2ccc(C(C)OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
THRB P10828 4/20 0.46
THRA P10827 2/20 0.44
CYP4A11 Q02928 2/20 0.43
RARB P10826 1/20 0.43
PLK1 P53350 1/20 0.43
PRSS1 P07477 2/20 0.43
ACR P10323 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 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
CYP4F2 P78329 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 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
SCHEMBL9761028 1.00 MAPT (0.50) MAPTSMN1; SMN2THRBTHRACYP4A11
SCHEMBL9760791 0.96 MAPT (0.53) MAPTSMN1; SMN2THRBTHRACYP4A11
SCHEMBL9761850 0.96 MAPT (0.53) MAPTSMN1; SMN2THRBTHRACYP4A11
SCHEMBL9761303 0.96 MAPT (0.53) MAPTSMN1; SMN2THRBTHRACYP4A11
SCHEMBL9762384 0.96 MAPT (0.53) MAPTSMN1; SMN2THRBTHRACYP4A11
SCHEMBL9762222 0.95 SMN1; SMN2 (0.54) MAPTSMN1; SMN2THRBTHRARARB
SCHEMBL9761430 0.95 SMN1; SMN2 (0.54) MAPTSMN1; SMN2THRBTHRARARB
SCHEMBL9761935 0.95 SMN1; SMN2 (0.54) MAPTSMN1; SMN2THRBTHRARARB
SCHEMBL9761317 0.95 SMN1; SMN2 (0.54) MAPTSMN1; SMN2THRBTHRARARB
SCHEMBL9761074 0.93 MAPT (0.57) MAPTSMN1; SMN2THRBTHRACYP4A11

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