SCHEMBL9762437

SCHEMBL9762437

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
NPC1 O15118 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
PRSS1 P07477 1/20 0.51
ACR P10323 1/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 4/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
PLK1 P53350 1/20 0.48
THRB P10828 1/20 0.47
MAPK1 P28482 2/20 0.47
ACACB O00763 3/20 0.46

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
SCHEMBL9760875 1.00 LMNA (0.51) LMNACYP1A2CYP2C19NPC1CYP2C9
SCHEMBL9761886 0.96 MAPT (0.54) LMNACYP1A2CYP2C19NPC1CYP2C9
SCHEMBL9762286 0.96 MAPT (0.54) LMNACYP1A2CYP2C19NPC1CYP2C9
SCHEMBL9761946 0.96 MAPT (0.54) LMNACYP1A2CYP2C19NPC1CYP2C9
SCHEMBL9760669 0.96 MAPT (0.54) LMNACYP1A2CYP2C19NPC1CYP2C9
SCHEMBL9761635 0.96 LMNA (0.56) LMNACYP1A2CYP2C19NPC1CYP2C9
SCHEMBL9761461 0.93 LMNA (0.50) LMNACYP1A2CYP2C19NPC1CYP2C9
SCHEMBL9761195 0.93 LMNA (0.50) LMNACYP1A2CYP2C19NPC1CYP2C9
SCHEMBL9761747 0.93 LMNA (0.59) LMNACYP1A2CYP2C19NPC1CYP2C9
SCHEMBL9761970 0.92 NPC1 (0.62) LMNACYP1A2CYP2C19NPC1CYP2C9

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