SCHEMBL8452082

SCHEMBL8452082

CC(C)CN(CC(O)C(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 1/20 0.44
▸ CTSA P10619 2/20 0.42
▸ MME P08473 5/20 0.41
▸ ACE P12821 5/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ PTGES O14684 2/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ GPR34 Q9UPC5 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL8447608 0.90 MME (0.47) MMEACEPTGESCTSB
SCHEMBL8452956 0.90 MME (0.43) CTSAMMEACEFFAR1CTSB
SCHEMBL8448729 0.86 MME (0.52) MMEACEPTGESCTSB
SCHEMBL8451407 0.85 MME (0.53) CTSAMMEACEFFAR1PTGES
SCHEMBL8454177 0.84 MME (0.43) CTSAMMEACECTSB
SCHEMBL27489677 0.82 MME (0.54) MMEACEMEN1KMT2ACTSB
SCHEMBL8027372 0.81 MME (0.61) MMEACECTSBGPR34
SCHEMBL8027369 0.81 MME (0.61) MMEACECTSBGPR34
SCHEMBL8452362 0.80 MME (0.51) MMEACECTSB
SCHEMBL8452086 0.80 MME (0.46) CYP26A1MMEACEKMT2A

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-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 — — US disclosed
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