SCHEMBL599640

SCHEMBL599640

CC[C@@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RECQL P46063 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL598830 0.85 ACP3 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL598409 0.84 KDM4E (0.43) KDM4EALDH1A1LMNAGAAMEN1
SCHEMBL599730 0.82 ALDH1A1 (0.47) ALDH1A1LMNAGAASLC6A4
SCHEMBL30532627 0.81 GAA (0.51) KDM4EALDH1A1LMNAHSD17B10GAA
SCHEMBL16000084 0.79 ALDH1A1 (0.47) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL21846116 0.78 ALDH1A1 (0.46) KDM4EALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL20083856 0.77 KMT2A (0.43) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17681440 0.77 MEN1 (0.46) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL16984827 0.76 HPGD (0.50) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL447136 0.76 CYP2C9 (0.48) ALDH1A1TDP1SLC6A4

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
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