SCHEMBL9761239

SCHEMBL9761239

CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C(C)OC)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
NPC1 O15118 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
PRSS1 P07477 1/20 0.54
ACR P10323 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 4/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
KMT2A Q03164 2/20 0.53
RARB P10826 5/20 0.51
TSHR P16473 2/20 0.49
POLB P06746 1/20 0.46
FAAH O00519 1/20 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
SCHEMBL9760386 1.00 LMNA (0.54) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9762268 1.00 LMNA (0.54) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9761528 0.96 NPC1 (0.59) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9761685 0.96 NPC1 (0.59) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9762304 0.96 NPC1 (0.59) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9762000 0.96 NPC1 (0.59) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9761547 0.96 NPC1 (0.59) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9761334 0.96 NPC1 (0.59) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9760371 0.96 NPC1 (0.59) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9761811 0.96 NPC1 (0.59) 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 4 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
US-4851527-A Water-soluble triphendioxazine compounds HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 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