SCHEMBL9545084

SCHEMBL9545084

CC(C)(C)OC(=O)N(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](CC(=O)O)C(=O)N1CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
CTSL P07711 4/20 0.45
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MPO P05164 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
DPP4 P27487 2/20 0.41
ACE P12821 2/20 0.40
MC4R P32245 2/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL9542629 0.93 MAPT (0.47) MAPTALDH1A1RAB9ACTSLLMNA
SCHEMBL9543952 0.91 MAPT (0.45) MAPTALDH1A1RAB9ACTSLLMNA
SCHEMBL9544862 0.91 MAPT (0.47) MAPTALDH1A1RAB9ACTSLLMNA
SCHEMBL9543664 0.90 MAPT (0.45) MAPTALDH1A1RAB9ACTSLLMNA
SCHEMBL9542526 0.81 DPP4 (0.47) MAPTLMNAKDM4EMEN1MPO
SCHEMBL27871523 0.80 MAPT (0.58) MAPTCTSLLMNAKDM4EMEN1
SCHEMBL9543725 0.79 DPP4 (0.46) MAPTLMNAKDM4EMEN1MPO
SCHEMBL9543230 0.78 DPP4 (0.40) MAPTLMNAKDM4EMEN1MPO
SCHEMBL9544895 0.76 DPP4 (0.40) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL27871519 0.76 TACR1 (0.51) MAPTCTSLLMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed