SCHEMBL9637016

SCHEMBL9637016

CC[C@H](C)[C@@H](C=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.48
MME P08473 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
SLC7A5 Q01650 1/20 0.47
YARS1 P54577 2/20 0.46
OPRD1 P41143 8/20 0.46
OPRM1 P35372 4/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL9637183 0.88 CTSC (0.51) ACEMMECPA1ACE2SLC7A5
SCHEMBL9636710 0.86 ALOX15 (0.50) ACEMMESLC7A5YARS1OPRK1
SCHEMBL9638034 0.84 OPRD1 (0.48) ACEMMECPA1ACE2SLC7A5
SCHEMBL13883036 0.82 SLC7A5 (0.53) SLC7A5YARS1OPRD1OPRM1OPRK1
SCHEMBL11799017 0.81 ACE (0.55) ACEMMECPA1ACE2SLC7A5
SCHEMBL9822685 0.81 ACE (0.55) ACEMMECPA1ACE2SLC7A5
SCHEMBL9822681 0.81 ACE (0.55) ACEMMECPA1ACE2SLC7A5
SCHEMBL9637011 0.80 ACE (0.48) ACEMMECPA1ACE2SLC7A5
SCHEMBL9637007 0.80 ACE (0.48) ACEMMECPA1ACE2SLC7A5
SCHEMBL21676276 0.79 SLC7A5 (0.59) SLC7A5YARS1OPRD1OPRM1OPRK1

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 3 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
EP-0268678-A1 NOVEL 5-FLUOROURIDINE COMPOUNDS AND PROCESS FOR THEIR PREPARATION FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-06-01 EP claimed