SCHEMBL9761648

SCHEMBL9761648

CCCCCCCCCOC(C)c1ccc(C(=O)Oc2ccccc2CCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL9762318 1.00 THRA (0.46) THRATHRBNPSR1LTB4RLTB4R2
SCHEMBL9761993 1.00 THRA (0.46) THRATHRBNPSR1LTB4RLTB4R2
SCHEMBL9761827 1.00 THRA (0.46) THRATHRBNPSR1LTB4RLTB4R2
SCHEMBL9761581 1.00 THRA (0.46) THRATHRBNPSR1LTB4RLTB4R2
SCHEMBL9761094 1.00 THRA (0.46) THRATHRBNPSR1LTB4RLTB4R2
SCHEMBL9762041 1.00 THRA (0.46) THRATHRBNPSR1LTB4RLTB4R2
SCHEMBL9761571 1.00 THRA (0.46) THRATHRBNPSR1LTB4RLTB4R2
SCHEMBL9761272 1.00 THRA (0.46) THRATHRBNPSR1LTB4RLTB4R2
SCHEMBL9761075 0.97 THRA (0.44) THRATHRBNPSR1LTB4RLTB4R2
SCHEMBL9760306 0.97 THRA (0.44) THRATHRBNPSR1LTB4RLTB4R2

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