SCHEMBL9577258

SCHEMBL9577258

C=C(C)CONC(Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.43
SLC7A5 Q01650 1/20 0.42
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
LNPEP Q9UIQ6 1/20 0.39
FOLH1 Q04609 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SLC6A2 P23975 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
SCHEMBL5841271 0.88 FOLH1 (0.49) ACESLC7A5ESR1ESR2CA1
SCHEMBL8374371 0.79 ACE (0.45) ACESLC7A5ESR1ESR2CA12
SCHEMBL5842234 0.76 FPR2 (0.47) ACESLC7A5MMP1
SCHEMBL718780 0.76 ACE (0.51) ACESLC7A5ESR1ESR2CA12
SCHEMBL18493172 0.76 ESR1 (0.49) ACESLC7A5ESR1ESR2CA12
SCHEMBL468899 0.75 ACE (0.55) ACESLC7A5ESR1ESR2CA12
SCHEMBL6518708 0.75 ACE (0.55) ACESLC7A5ESR1ESR2CA12
SCHEMBL23960332 0.75 ACE (0.51) ACESLC7A5ESR1ESR2CA12
SCHEMBL12118463 0.75 ACE (0.51) ACESLC7A5ESR1ESR2CA12
SCHEMBL13416669 0.75 ACE (0.51) ACESLC7A5ESR1ESR2CA12

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-5264513-A Dental adhesive KABUSHIKI KAISHA SHOFU (JP) 1993-11-23 US disclosed