SCHEMBL19240089

SCHEMBL19240089

CCCCCCOC(=O)C(=C/C=C/N1CCCCC1)C(=O)OCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 4/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ NAAA Q02083 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ RAD52 P43351 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
SCHEMBL14456204 0.99 ALDH1A1 (0.49) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL13609918 0.95 ALDH1A1 (0.56) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL20805921 0.89 TSHR (0.45) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL19240031 0.88 ALDH1A1 (0.64) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL12292368 0.88 TSHR (0.41) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL12260843 0.84 MAPT (0.42) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL9889261 0.84 MAPT (0.42) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL12292355 0.84 MAPT (0.42) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL19240054 0.79 L3MBTL1 (0.46) ALDH1A1GAAL3MBTL1RECQL
SCHEMBL19240032 0.78 ALDH1A1 (0.47) ALDH1A1GAATSHRMAPK1L3MBTL1

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-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
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