SCHEMBL9445933

SCHEMBL9445933

CC(C)[C@H](NCc1cccc(CP(=O)(O)O)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 4/20 0.51
▸ PGK1 P00558 4/20 0.44
▸ PGK2 P07205 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ACP3 P15309 5/20 0.41

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
SCHEMBL9445938 1.00 MEP1B (0.51) MEP1BPGK1PGK2ALDH1A1MEN1
SCHEMBL9445921 0.86 MEP1B (0.49) MEP1BPGK1PGK2MEN1KMT2A
SCHEMBL9445919 0.86 MEP1B (0.49) MEP1BPGK1PGK2MEN1KMT2A
SCHEMBL27719676 0.80 ALDH1A1 (0.54) MEP1BALDH1A1MEN1KMT2AACP3
SCHEMBL8349459 0.79 ALDH1A1 (0.62) MEP1BALDH1A1MEN1KMT2A
SCHEMBL29060375 0.79 ALDH1A1 (0.62) MEP1BALDH1A1MEN1KMT2A
SCHEMBL8065362 0.79 ALDH1A1 (0.62) MEP1BALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL28019583 0.78 ALDH1A1 (0.60) MEP1BALDH1A1MEN1KMT2AACP3
SCHEMBL8040890 0.73 PGK1 (0.66) PGK1PGK2ACP3
SCHEMBL9445923 0.73 MEN1 (0.46) MEP1BALDH1A1MEN1KMT2A

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-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 — — US disclosed
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