SCHEMBL21383145

SCHEMBL21383145

C[C](CC=C(C)C(=O)O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CD81 P60033 2/20 0.36
GRIK2 Q13002 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HSD11B1 P28845 2/20 0.32
HSD11B2 P80365 1/20 0.32
TSHR P16473 2/20 0.32
EPHX1 P07099 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NAAA Q02083 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL25234936 0.73 LMNA (0.38) CD81GRIK2EPHX1
SCHEMBL464872 0.73 LMNA (0.38) CD81GRIK2EPHX1
SCHEMBL1770285 0.73 LMNA (0.38) CD81GRIK2EPHX1
SCHEMBL16267791 0.73 LMNA (0.38) CD81GRIK2EPHX1
SCHEMBL9090277 0.73 LMNA (0.38) CD81GRIK2EPHX1
SCHEMBL28107449 0.71 CES2 (0.41) CES2CES1HDAC8HDAC6HSD11B1
SCHEMBL6358584 0.71 CES2 (0.41) CES2CES1HDAC8HDAC6HSD11B1
SCHEMBL5003950 0.71 CD81 (0.36) CD81GRIK2
SCHEMBL5006598 0.70 CD81 (0.40) CD81GRIK2HSD11B1EPHX1
SCHEMBL28442378 0.70 GRIK2 (0.34) CES2CES1CD81GRIK2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019181228-A1 PHOTORESIST RESIN, PRODUCTION METHOD FOR PHOTORESIST RESIN, PHOTORESIST RESIN COMPOSITION, AND PATTERN FORMATION METHOD 株式会社ダイセル 2019-09-26 WO disclosed