SCHEMBL8398136

SCHEMBL8398136

CCC(C)[C@H](NCC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MME P08473 2/20 0.48
ACE P12821 2/20 0.48
CPA1 P15085 2/20 0.48
ACE2 Q9BYF1 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
FPR2 P25090 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
ENPEP Q07075 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL8398140 1.00 ALDH1A1 (0.55) ALDH1A1MMEACECPA1ACE2
SCHEMBL597622 0.85 ALDH1A1 (0.53) ALDH1A1MMEACECPA1ACE2
SCHEMBL29774119 0.82 ALDH1A1 (0.40) ALDH1A1MMEACECPA1ACE2
SCHEMBL30552195 0.82 ALDH1A1 (0.59) ALDH1A1MMEACECPA1ACE2
SCHEMBL16041452 0.82 ALDH1A1 (0.40) ALDH1A1MMEACECPA1ACE2
SCHEMBL16041451 0.82 ALDH1A1 (0.40) ALDH1A1MMEACECPA1ACE2
SCHEMBL250457 0.82 ALDH1A1 (0.59) ALDH1A1MMEACECPA1ACE2
SCHEMBL250458 0.82 ALDH1A1 (0.59) ALDH1A1MMEACECPA1ACE2
SCHEMBL9326138 0.81 ALDH1A1 (0.36) ALDH1A1MMEACECPA1ACE2
SCHEMBL3376844 0.80 ALDH1A1 (0.39) ALDH1A1MMEACECPA1ACE2

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-0915829-A1 DIAGNOSTIC IMAGING CONTRAST AGENT WITH IMPROVED IN-SERUM-RELAXIVITY BRACCO S.p.A. (IT) 1999-05-19 EP disclosed
WO-1998005625-A1 DIAGNOSTIC IMAGING CONTRAST AGENT WITH IMPROVED IN-SERUM-RELAXIVITY BRACCO S.P.A. (IT) 1998-02-12 WO disclosed