SCHEMBL26190010

SCHEMBL26190010

CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)c(C(=O)OCC(CC)CC)c1

nearest known ligand 0.97

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.97
TSHR P16473 5/20 0.97
MAPK1 P28482 4/20 0.97
CYP3A4 P08684 4/20 0.71
CA2 P00918 1/20 0.71
PRSS1 P07477 1/20 0.64
PRSS2 P07478 1/20 0.64
PRSS3 P35030 1/20 0.64
LMNA P02545 3/20 0.63
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 3/20 0.48
ATM Q13315 1/20 0.48
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.40
MAPT P10636 1/20 0.40
ESR1 P03372 2/20 0.39
TP53 P04637 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
SCHEMBL34167 0.99 TSHR (1.00) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL29351184 0.99 TSHR (1.00) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL29449318 0.94 TSHR (0.90) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL29449326 0.94 TSHR (0.90) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL8202056 0.93 ALDH1A1 (0.90) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL22440166 0.92 ALDH1A1 (0.88) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL30487205 0.92 ALDH1A1 (0.88) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL828867 0.91 ALDH1A1 (0.85) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL12191481 0.91 ALDH1A1 (0.85) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL12191473 0.91 ALDH1A1 (0.85) ALDH1A1TSHRMAPK1CYP3A4CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230274936-A1 PLANARIZING AGENT FOR FORMING ORGANIC FILM, COMPOSITION FOR FORMING ORGANIC FILM, METHOD FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-31 US disclosed
US-20230274936-A1 PLANARIZING AGENT FOR FORMING ORGANIC FILM, COMPOSITION FOR FORMING ORGANIC FILM, METHOD FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-31 US disclosed