SCHEMBL7908667

SCHEMBL7908667

N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O.O=C(O)[C@@H]1CC(=S)CN1C(=O)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
FAP Q12884 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
SLC6A7 Q99884 1/20 0.43
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
ACE P12821 1/20 0.39
LNPEP Q9UIQ6 2/20 0.39
LTA4H P09960 3/20 0.39
LAP3 P28838 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 2/20 0.39
YAP1 P46937 1/20 0.39
GPR132 Q9UNW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 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
SCHEMBL6935321 0.94 DPP4 (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL7896696 0.91 RAB9A (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL6935180 0.87 DPP4 (0.47) DPP4FAPDPP8DPP9DPP7
SCHEMBL8202004 0.85 DPP4 (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL7905108 0.84 GPR132 (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL6935894 0.83 YAP1 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL6933977 0.83 LTA4H (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL6934215 0.81 DPP4 (0.42) DPP4FAPDPP8DPP9DPP7
SCHEMBL7075757 0.79 LNPEP (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL6930978 0.79 LTA4H (0.46) DPP4FAPDPP8DPP9DPP7

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
US-6197794-B1 ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES CELLTECH THERAPEUTICS LIMITED (GB) 2001-03-06 US disclosed