SCHEMBL7906161

SCHEMBL7906161

CC(=O)N1CC(=S)C[C@H]1C(=O)O.NC(Cc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.47
PTPN1 P18031 2/20 0.45
DPP4 P27487 6/20 0.44
FAP Q12884 3/20 0.44
DPP8 Q6V1X1 3/20 0.44
DPP9 Q86TI2 3/20 0.44
DPP7 Q9UHL4 2/20 0.44
TPH1 P17752 4/20 0.41
SLC7A5 Q01650 2/20 0.39
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
TACR1 P25103 1/20 0.37
KIF11 P52732 1/20 0.37

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
Phenylalanine SCHEMBL7906184 0.87 SLC7A5 (0.52) DPP4FAPDPP8DPP9DPP7
SCHEMBL6934218 0.85 PTPN1 (0.43) GRB2PTPN1DPP4FAPDPP8
SCHEMBL7904116 0.85 SLC7A5 (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL6932583 0.84 PTPN1 (0.46) GRB2PTPN1DPP4FAPDPP8
SCHEMBL7902867 0.83 SLC7A5 (0.39) GRB2TPH1SLC7A5ALPIPKM
SCHEMBL7906150 0.83 SLC7A5 (0.43) TPH1SLC7A5ALPIPKMPTGS1
SCHEMBL7906163 0.82 L3MBTL1 (0.36) GRB2SLC7A5ALPIPKMPTGS1
SCHEMBL6933972 0.81 MAOB (0.46) PTPN1DPP4FAPDPP8DPP9
SCHEMBL7904114 0.81 CYP3A4 (0.37) GRB2PTPN1TPH1SLC7A5ALPI
SCHEMBL7906194 0.81 ITGA4 (0.41)

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