SCHEMBL9761635

SCHEMBL9761635

CCCCOC(C)c1ccc(C(=O)Oc2ccc(OCCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
NPC1 O15118 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
PRSS1 P07477 1/20 0.56
ACR P10323 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.47
PLK1 P53350 1/20 0.47

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
SCHEMBL9761747 0.97 LMNA (0.59) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9761390 0.96 NPC1 (0.62) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9761429 0.96 NPC1 (0.62) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9760749 0.96 NPC1 (0.62) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9760666 0.96 NPC1 (0.62) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9761914 0.96 NPC1 (0.62) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9762254 0.96 NPC1 (0.62) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9762194 0.96 NPC1 (0.62) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9761677 0.96 NPC1 (0.62) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9761238 0.96 LMNA (0.53) LMNANPC1CYP1A2CYP2C9CYP2C19

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