SCHEMBL9637178

SCHEMBL9637178

CCC(C)C([C]=O)NC(=O)C(N)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.54
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
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CTSH P09668 1/20 0.47
CYP2D6 P10635 1/20 0.47
CTSK P43235 1/20 0.47
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
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
SCHEMBL9637180 1.00 CTSC (0.54) CTSCMMEACECPA1ACE2
SCHEMBL9638027 0.95 CTSC (0.50) CTSCMMEACECPA1ACE2
SCHEMBL9638023 0.95 CTSC (0.50) CTSCMMEACECPA1ACE2
SCHEMBL9637011 0.88 ACE (0.48) MMEACECPA1ACE2SLC7A5
SCHEMBL9637007 0.88 ACE (0.48) MMEACECPA1ACE2SLC7A5
SCHEMBL1645427 0.88 CTSC (0.58) CTSCCYP3A4ALPIPKMPTGS1
SCHEMBL2182294 0.87 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL9350595 0.86 CTSC (0.57) CTSCCYP3A4ALPIPKMPTGS1
SCHEMBL9350598 0.86 CTSC (0.57) CTSCCYP3A4ALPIPKMPTGS1
SCHEMBL9637249 0.85 ACE (0.53) 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