SCHEMBL8894619

SCHEMBL8894619

CC[C@H](C)[C@H](NC)C(=O)CC(O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
TET2 Q6N021 3/20 0.34
TET3 O43151 1/20 0.34
TET1 Q8NFU7 1/20 0.34
FPR2 P25090 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL2034664 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL18560091 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL2034259 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL43381 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL43380 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL288609 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL203222 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL203221 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL8893788 0.78 CTSS (0.40) ALDH1A1L3MBTL1CA2
SCHEMBL14942951 0.77 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2MMEACE

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-5624897-A PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed