SCHEMBL29805502

SCHEMBL29805502

C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PRCP P42785 2/20 0.41
KDM4E B2RXH2 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
TLR2 O60603 2/20 0.36
LTA4H P09960 1/20 0.35
HTR2C P28335 4/20 0.35
CTSC P53634 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
HTR2B P41595 3/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL29466214 0.98 TERT (0.43) TERTMEN1KMT2APRCPKDM4E
SCHEMBL29591886 0.98 TERT (0.43) TERTMEN1KMT2APRCPKDM4E
SCHEMBL30676226 0.93 MEN1 (0.40) TERTMEN1KMT2APRCPKDM4E
SCHEMBL30139004 0.89 MEN1 (0.40) TERTMEN1KMT2APRCPDPP7
SCHEMBL31261087 0.88 TERT (0.46) TERTMEN1KMT2APRCPKDM4E
SCHEMBL30053026 0.88 TERT (0.49) TERTMEN1KMT2APRCPKDM4E
SCHEMBL5498611 0.88 NMT1 (0.46) TLR2
SCHEMBL30039158 0.88 CTSD (0.38) TERTMEN1KMT2ADPP7
SCHEMBL30423381 0.87 DPP7 (0.43) MEN1KMT2APRCPDPP7LTA4H
SCHEMBL29540367 0.87 TERT (0.54) TERTMEN1KMT2APRCPKDM4E

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
EP-3060924-B1 PIF-TRANSFECTED CELLS AND METHODS OF USE BIOINCEPT LLC (US) 2022-06-01 EP disclosed