SCHEMBL27668010

SCHEMBL27668010

COC(=O)C(C)C(N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.58
LTA4H P09960 1/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LAP3 P28838 3/20 0.50
RNPEP Q9H4A4 1/20 0.50
DNPEP Q9ULA0 1/20 0.50
ATM Q13315 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49

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
SCHEMBL8174333 0.83 LTA4H (0.77) ANPEPLTA4HMEN1KMT2AALDH1A1
SCHEMBL6339522 0.83 LTA4H (0.77) ANPEPLTA4HMEN1KMT2AALDH1A1
SCHEMBL2106383 0.83 LTA4H (0.77) ANPEPLTA4HMEN1KMT2AALDH1A1
SCHEMBL7964846 0.83 LTA4H (0.77) ANPEPLTA4HMEN1KMT2AALDH1A1
SCHEMBL2106650 0.83 LTA4H (0.77) ANPEPLTA4HMEN1KMT2AALDH1A1
SCHEMBL2606756 0.83 LTA4H (0.77) ANPEPLTA4HMEN1KMT2AALDH1A1
SCHEMBL7964844 0.83 LTA4H (0.77) ANPEPLTA4HMEN1KMT2AALDH1A1
SCHEMBL28578878 0.83 LTA4H (0.77) ANPEPLTA4HMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL29228723 0.83 ALDH1A1 (0.43) ANPEPLTA4HMEN1KMT2AALDH1A1
SCHEMBL8561050 0.82 ALPI (0.60) ANPEPLAP3RNPEPDNPEPNPC1

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
CN-1926241-A Process for preparing enantiomerically enriched beta-2-amino acids using enzymes DSM IP ASSETS BV (NL) 2007-03-07 CN disclosed