SCHEMBL10665289

SCHEMBL10665289

CCC(C)[C@H](NC(=O)NCC(O)[C@@H](N)CC(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 1/20 0.44
▸ FPR2 P25090 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ENPEP Q07075 2/20 0.41
▸ ANPEP P15144 2/20 0.39
▸ DNPEP Q9ULA0 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA1 P00915 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
SCHEMBL10665299 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTFPR2KMT2A
SCHEMBL10656924 0.76 ENPEP (0.44) ALDH1A1L3MBTL1FPR2KMT2AMEN1
SCHEMBL10656917 0.76 ENPEP (0.44) ALDH1A1L3MBTL1FPR2KMT2AMEN1
SCHEMBL10657299 0.75 CTSS (0.48) ALDH1A1L3MBTL1KMT2ACA2CA1
SCHEMBL10657304 0.75 CTSS (0.48) ALDH1A1L3MBTL1KMT2ACA2CA1
SCHEMBL9491298 0.73 ALDH1A1 (0.53) ALDH1A1L3MBTL1FPR2KMT2AMEN1
SCHEMBL14941289 0.73 ALDH1A1 (0.53) ALDH1A1L3MBTL1FPR2KMT2AMEN1
SCHEMBL16698375 0.73 ALDH1A1 (0.53) ALDH1A1L3MBTL1FPR2KMT2AMEN1
SCHEMBL9491302 0.73 ALDH1A1 (0.53) ALDH1A1L3MBTL1FPR2KMT2AMEN1
SCHEMBL29351914 0.71 ALDH1A1 (0.50) ALDH1A1L3MBTL1ENPEP

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-4757050-A Urea, amide group-containing E. R. SQUIBB SONS, INC. (US) 1988-07-12 — — US disclosed
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