SCHEMBL606226

SCHEMBL606226

COc1ccc([C@@H](C)C(=O)OC(c2cccc3ccccc23)c2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PTGS2 P35354 2/20 0.41
POLB P06746 1/20 0.41
NPBWR1 P48145 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
MET P08581 1/20 0.41
KRAS P01116 1/20 0.41

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
SCHEMBL17681455 0.89 TDP1 (0.44) TDP1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL599730 0.88 ALDH1A1 (0.47) GAAALDH1A1PTGS2
SCHEMBL17681419 0.88 L3MBTL1 (0.49) TDP1L3MBTL1KMT2AMEN1MAPT
SCHEMBL598815 0.87 RAB9A (0.39) L3MBTL1KMT2ANPC1RAB9AMEN1
SCHEMBL600002 0.86 UTS2R (0.44) ALDH1A1PTGS2
SCHEMBL17681403 0.86 TDP1 (0.49) TDP1L3MBTL1PTGS2
SCHEMBL599408 0.85 TDP1 (0.49) TDP1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL17681411 0.84 KDM4E (0.47) TDP1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL17681440 0.83 MEN1 (0.46) KMT2AMEN1GAAALDH1A1
SCHEMBL17681464 0.83 MEN1 (0.51) L3MBTL1KMT2AMEN1GAAALDH1A1

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-9315442-B2 Method for manufacturing optically active carboxylic acid ester TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2016-04-19 US disclosed
US-8115008-B2 Method for producing optically active ester and method for producing optically active carboxylic acid TOKYO UNIVERSITY OF SCIENCE EDUCATION FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-02-14 US disclosed