SCHEMBL14600155

SCHEMBL14600155

C[C@H](CSC(=O)CN)C(=O)N1CCC[C@H]1C(=O)OCc1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 13/20 0.39
TMEM97 Q5BJF2 2/20 0.37
ACE P12821 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL14600176 0.90 FKBP1A (0.41) FKBP1ATMEM97ACE
SCHEMBL14600150 0.90 FKBP1A (0.39) FKBP1ATMEM97ACECA12CA1
SCHEMBL8299273 0.86 FKBP1A (0.41) FKBP1AACE
SCHEMBL14600154 0.85 TMEM97 (0.38) FKBP1ATMEM97ACE
SCHEMBL14600152 0.84 ACE (0.38) FKBP1AACEMAPT
SCHEMBL14600153 0.84 ACE (0.38) FKBP1AACEMAPT
SCHEMBL5566810 0.79 ACE (0.44) TMEM97ACEMAPT
SCHEMBL14600085 0.78 TMEM97 (0.46) TMEM97ACE
SCHEMBL14600074 0.76 PRSS1 (0.42) TMEM97ACEMAPT
SCHEMBL14600157 0.76 ACE (0.41) FKBP1AACEMAPT

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-7169805-B2 Captopril derivatives NICOX S.A. (FR) 2007-01-30 US disclosed