SCHEMBL9637183

SCHEMBL9637183

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.51
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
CTSD P07339 1/20 0.48
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CTRB1 P17538 3/20 0.45
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CTSH P09668 1/20 0.44
CYP2D6 P10635 1/20 0.44
CTSK P43235 1/20 0.44
SLC15A1 P46059 1/20 0.44
LTA4H P09960 1/20 0.44
OPRD1 P41143 2/20 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
SCHEMBL9638034 0.95 OPRD1 (0.48) CTSCMMEACECPA1ACE2
SCHEMBL9637016 0.88 ACE (0.48) MMEACECPA1ACE2SLC7A5
SCHEMBL9637257 0.85 ACE (0.53) MMEACECPA1ACE2CTSD
SCHEMBL9636710 0.83 ALOX15 (0.50) MMEACEPTGS1SLC7A5CYP3A4
SCHEMBL3052110 0.81 CTSD (0.57) CTSCMMEACECPA1ACE2
SCHEMBL3052108 0.81 CTSD (0.57) CTSCMMEACECPA1ACE2
SCHEMBL9636717 0.80 MMP2 (0.47) MMEACECPA1ACE2OPRD1
SCHEMBL31462339 0.79 CTSD (0.60) CTSCMMEACECPA1ACE2
SCHEMBL30050842 0.79 CTSD (0.60) CTSCMMEACECPA1ACE2
SCHEMBL9637180 0.79 CTSC (0.54) CTSCMMEACECPA1ACE2

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
EP-0268678-B1 NOVEL 5-FLUOROURIDINE COMPOUNDS AND PROCESS FOR THEIR PREPARATION FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-29 EP claimed
US-4892939-A ANTITUMOR, ANTIVIRAL AND IMMUNOSUPRESSIVE AGENTS FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-09 US claimed