SCHEMBL6825166

SCHEMBL6825166

CC(C)CCN(CC(=O)NO)C(=O)C[C@H](C)CNC(=O)Nc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.45
CASR P41180 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
CFD P00746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 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
SCHEMBL6825195 0.89 RAB9A (0.40) TAS1R3TAS1R1LMNAALDH1A1KMT2A
SCHEMBL6825590 0.89 TRPV1 (0.44) CASRLMNAKMT2AHPGDMEN1
SCHEMBL6825239 0.87 ANPEP (0.47) ANPEPKMT2AMEN1
SCHEMBL6825678 0.85 TAS1R3 (0.42) ANPEPCASRTAS1R3TAS1R1ALDH1A1
SCHEMBL6825499 0.83 TAS1R3 (0.44) ANPEPCASRTAS1R3TAS1R1ALDH1A1
SCHEMBL6827638 0.83 TAS1R3 (0.41) ANPEPCASRTAS1R3TAS1R1ALDH1A1
SCHEMBL6826030 0.82 ALDH1A1 (0.48) LMNAALDH1A1KMT2ATSHRMEN1
SCHEMBL6825438 0.81 LMNA (0.41) LMNAALDH1A1KMT2AHPGDMAPK1
SCHEMBL7066019 0.81 LMNA (0.40) CASRITGB1ITGA4LMNAALDH1A1
SCHEMBL6825157 0.78 ANPEP (0.52) ANPEPCASRTAS1R3TAS1R1ITGB1

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-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed