SCHEMBL23314718

SCHEMBL23314718

Cc1cc(C[C@H](NC(=O)[C@H](C)N)C(=O)O)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.50
MME P08473 9/20 0.47
ACE P12821 6/20 0.47
CPA1 P15085 5/20 0.47
ACE2 Q9BYF1 5/20 0.47
CA2 P00918 3/20 0.46
CA1 P00915 1/20 0.46
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 0.44
RECQL P46063 1/20 0.44
SLC7A5 Q01650 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL4073351 0.82 ACE (0.65) FOLH1MMEACECPA1ACE2
SCHEMBL2545591 0.82 ACE (0.65) FOLH1MMEACECPA1ACE2
SCHEMBL31287928 0.82 ACE (0.65) FOLH1MMEACECPA1ACE2
SCHEMBL2493049 0.82 ACE (0.65) FOLH1MMEACECPA1ACE2
Water SCHEMBL20495306 0.81 ACE (0.64) FOLH1MMEACECPA1ACE2
Water SCHEMBL20489335 0.81 ACE (0.64) FOLH1MMEACECPA1ACE2
Water SCHEMBL29167818 0.81 ACE (0.64) FOLH1MMEACECPA1ACE2
Water SCHEMBL20489337 0.81 ACE (0.64) FOLH1MMEACECPA1ACE2
Water SCHEMBL29167817 0.81 ACE (0.64) FOLH1MMEACECPA1ACE2
Water SCHEMBL29167821 0.81 ACE (0.64) FOLH1MMEACECPA1ACE2

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
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 EP disclosed