SCHEMBL9066436

SCHEMBL9066436

CCCCCCOC(=O)C(CCCC(=O)OCC)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
TSHR P16473 1/20 0.45
NAAA Q02083 3/20 0.45
DGKA P23743 1/20 0.42
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2C P28335 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 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
SCHEMBL634780 0.95 EPHX2 (0.54) EPHX2TSHRNAAADGKAMAPT
SCHEMBL634781 0.87 EPHX2 (0.43) EPHX2TSHR
SCHEMBL8084596 0.84 TSHR (0.57) EPHX2TSHRNAAANPSR1
SCHEMBL5709873 0.81 TSHR (0.47) EPHX2TSHRNAAAMAPTMAPK1
SCHEMBL30304082 0.81 NAAA (0.46) TSHRNAAAMAPTMAPK1NPSR1
SCHEMBL15287645 0.81 NAAA (0.46) TSHRNAAAMAPTMAPK1NPSR1
SCHEMBL30304015 0.81 NAAA (0.46) TSHRNAAAMAPTMAPK1NPSR1
SCHEMBL28825960 0.81 TSHR (0.52) TSHRNAAANPSR1L3MBTL1
SCHEMBL11576818 0.79 NAAA (0.52) EPHX2TSHRNAAADGKAMAPT
SCHEMBL9847336 0.79 TSHR (0.45) EPHX2TSHRNAAAMAPTMAPK1

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-0432124-B1 Plasticizer composition, plasticized polyvinyl butyral and interlayer thereof MONSANTO CO (US) 1996-02-28 EP disclosed
US-5013780-A Plasticized polyvinyl butyral and interlayer thereof MONSANTO COMPANY (US) 1991-05-07 US disclosed
US-5013779-A Cyclohexyl adipate plasticizer, radiation resistance MONSANTO COMPANY (US) 1991-05-07 US disclosed