SCHEMBL9051266

SCHEMBL9051266

NC(=O)NC(=O)[C@@H](O)[CH]Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.39
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 1/20 0.37
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
SLC15A1 P46059 2/20 0.36
MMP8 P22894 1/20 0.36
MAOB P27338 1/20 0.35
PLA2G10 O15496 1/20 0.35
PLA2G2A P14555 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9052278 0.83 MMP8 (0.50) KMT2AMMP8MMEMEN1
SCHEMBL27660866 0.81 EPHX1 (0.46) ALDH1A1EPHX1ALPIPKMPTGS1
SCHEMBL28026869 0.81 EPHX1 (0.46) ALDH1A1EPHX1ALPIPKMPTGS1
SCHEMBL3135798 0.79 ACE (0.42) KMT2AMMP8MME
SCHEMBL7491376 0.78 LMNA (0.41) BCAT2METAP2METAP1PKMMMP8
SCHEMBL27640137 0.77 PKM (0.44) PKMKMT2AGAAMMP8POLB
SCHEMBL8666884 0.77 CYP1A2 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6341817 0.76 METAP2 (0.36) METAP2METAP1ALDH1A1KMT2A
SCHEMBL27916346 0.76 CETP (0.40) ALDH1A1KMT2AGAAPOLBMEN1
SCHEMBL27640144 0.75 SMN1; SMN2 (0.50) ALDH1A1EPHX1KMT2AGAA

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
WO-1996039385-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1996-12-12 WO disclosed