SCHEMBL598409

SCHEMBL598409

CC[C@@H](C(=O)OC(c1cc2ccccc2c2ccccc12)c1cc2ccccc2c2ccccc12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 4/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL598317 0.86 CHRM1 (0.45) MEN1KMT2A
SCHEMBL599640 0.84 KDM4E (0.45) KDM4EMEN1KMT2ALMNATDP1
SCHEMBL600006 0.83 TACR3 (0.43) KDM4EMEN1KMT2ATDP1L3MBTL1
SCHEMBL29272525 0.79 MEN1 (0.44) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL30532627 0.79 GAA (0.51) KDM4EMEN1KMT2ALMNACRHBP
SCHEMBL599493 0.74 AKR1B1 (0.39) KMT2AMAPTTDP1L3MBTL1GAA
SCHEMBL598171 0.73 UTS2R (0.38) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL2290954 0.73 CRHBP (0.53) KDM4EMEN1KMT2ALMNACRHBP
SCHEMBL599408 0.72 TDP1 (0.49) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL598410 0.72 AKR1C3 (0.38) KDM4EMEN1KMT2AMAPTALDH1A1

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