SCHEMBL10656924

SCHEMBL10656924

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 9/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ CA2 P00918 4/20 0.38
▸ CA1 P00915 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FPR2 P25090 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL10656917 1.00 ENPEP (0.44) ENPEPALDH1A1CA2CA1L3MBTL1
SCHEMBL10656498 0.78 CTSS (0.42) CA2CA1KMT2A
SCHEMBL10662386 0.78 CTSS (0.42) CA2CA1KMT2A
SCHEMBL10665299 0.76 ALDH1A1 (0.53) ENPEPALDH1A1CA2CA1L3MBTL1
SCHEMBL10665289 0.76 ALDH1A1 (0.53) ENPEPALDH1A1CA2CA1L3MBTL1
SCHEMBL10660237 0.73 MME (0.37) ALDH1A1
SCHEMBL9491302 0.69 ALDH1A1 (0.53) ENPEPALDH1A1CA2CA1L3MBTL1
SCHEMBL9491298 0.69 ALDH1A1 (0.53) ENPEPALDH1A1CA2CA1L3MBTL1
SCHEMBL16698375 0.69 ALDH1A1 (0.53) ENPEPALDH1A1CA2CA1L3MBTL1
SCHEMBL14941289 0.69 ALDH1A1 (0.53) ENPEPALDH1A1CA2CA1L3MBTL1

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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