SCHEMBL5438064

SCHEMBL5438064

CC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.53
PSMB5 P28074 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
PAM P19021 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 2/20 0.48
PGR P06401 1/20 0.48
GAA P10253 1/20 0.48
PTGS1 P23219 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CTRB1 P17538 4/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
EPHX2 P34913 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL6362824 1.00 TACR1 (0.53) TACR1PSMB5MEN1KMT2ACTSS
SCHEMBL29376059 0.92 TACR1 (0.52) TACR1PSMB5KMT2AALDH1A1PGR
SCHEMBL29519974 0.86 CTSL (0.57) MEN1KMT2ACTSSCTSKALDH1A1
SCHEMBL12396105 0.84 ANPEP (0.51) TACR1PSMB5ALDH1A1PGRGAA
SCHEMBL11138264 0.82 GNPAT (0.49)
Hydrochloric Acid SCHEMBL11140709 0.81 GNPAT (0.48)
SCHEMBL9323234 0.80 PTGS1 (0.50) PSMB5MEN1KMT2AALDH1A1PGR
SCHEMBL27703700 0.80 TACR1 (0.61) TACR1CTSSCTSKPAMATM
SCHEMBL19708499 0.80 TACR1 (0.57) TACR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL19708498 0.80 TACR1 (0.57) TACR1MEN1KMT2AALDH1A1KDM4E

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
US-20070148267-A1 Method for producing plant extracts enriched with protease inhibitors for regulation of appetite and food intake in mammals RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2007-06-28 US disclosed
US-6297427-B1 NUCLEOTIDE SEQUENCE OF STORAGE PROTEIN; TRANSGENIC PLANTS; BIOLOGICAL PEST CONTROL NATIONAL SCIENCE COUNCIL (TW) 2001-10-02 US disclosed