SCHEMBL9760588

SCHEMBL9760588

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PPARD Q03181 1/20 0.42
KMT2A Q03164 2/20 0.39
TSHR P16473 4/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
ESR1 P03372 1/20 0.38
CYP2D6 P10635 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
MAPT P10636 2/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL9760826 0.97 NPSR1 (0.43) NPSR1THRATHRBPPARDKMT2A
SCHEMBL9761094 0.95 THRA (0.46) NPSR1THRATHRBPPARDKMT2A
SCHEMBL9761648 0.95 THRA (0.46) NPSR1THRATHRBPPARDKMT2A
SCHEMBL9762041 0.95 THRA (0.46) NPSR1THRATHRBPPARDKMT2A
SCHEMBL9761571 0.95 THRA (0.46) NPSR1THRATHRBPPARDKMT2A
SCHEMBL9762318 0.95 THRA (0.46) NPSR1THRATHRBPPARDKMT2A
SCHEMBL9761272 0.95 THRA (0.46) NPSR1THRATHRBPPARDKMT2A
SCHEMBL9761581 0.95 THRA (0.46) NPSR1THRATHRBPPARDKMT2A
SCHEMBL9761827 0.95 THRA (0.46) NPSR1THRATHRBPPARDKMT2A
SCHEMBL9761993 0.95 THRA (0.46) NPSR1THRATHRBPPARDKMT2A

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