SCHEMBL3877253

SCHEMBL3877253

CC(=O)N/C(=C(/F)C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.41
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
TSHR P16473 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
CYP3A4 P08684 3/20 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
SCHEMBL6665605 0.81 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL6657749 0.81 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL6657756 0.81 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL6552377 0.80 CES1 (0.46) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL11435704 0.79 MAPT (0.48) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL11435701 0.79 MAPT (0.48) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL11048446 0.77 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL11762907 0.76 MAPT (0.45) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7067606 0.74 CES1 (0.48) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7067607 0.74 CES1 (0.48) ALDH1A1MAPTL3MBTL1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550277-B2 D-amino acid dehydrogenase and method of making D-amino acids CODEXIS, INC. (US) 2009-06-23 US disclosed
US-20080182972-A1 D-amino acid dehydrogenase and method of making D-amino acids INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2008-07-31 US disclosed
EP-1896574-A2 D-AMINO ACID DEHYDROGENASE AND METHOD OF MAKING D-AMINO ACIDS BioCatalytics Inc. (US) 2008-03-12 EP disclosed
WO-2006113085-A2 D-AMINO ACID DEHYDROGENASE AND METHOD OF MAKING D-AMINO ACIDS BIOCATALYTICS, INC. (US) 2006-10-26 WO disclosed