SCHEMBL9445921

SCHEMBL9445921

CC(NCc1cccc(CP(=O)(O)O)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 2/20 0.49
▸ PGK1 P00558 4/20 0.47
▸ PGK2 P07205 4/20 0.47
▸ CD274 Q9NZQ7 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PDCD1 Q15116 1/20 0.44
▸ ACP3 P15309 4/20 0.43

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
SCHEMBL9445919 1.00 MEP1B (0.49) MEP1BPGK1PGK2CD274MEN1
SCHEMBL9445933 0.86 MEP1B (0.51) MEP1BPGK1PGK2MEN1KMT2A
SCHEMBL9445938 0.86 MEP1B (0.51) MEP1BPGK1PGK2MEN1KMT2A
SCHEMBL18475402 0.82 MEP1B (0.54) MEP1BCD274MEN1KMT2APDCD1
SCHEMBL6240677 0.79 ALDH1A1 (0.54) MEP1BCD274MEN1KMT2APDCD1
SCHEMBL28499340 0.79 ACP3 (0.51) MEP1BCD274MEN1KMT2AACP3
SCHEMBL497818 0.78 SIGMAR1 (0.55) MEP1BCD274MEN1KMT2A
SCHEMBL3556483 0.78 SIGMAR1 (0.55) MEP1BCD274MEN1KMT2A
SCHEMBL497817 0.78 SIGMAR1 (0.55) MEP1BCD274MEN1KMT2A
SCHEMBL6237660 0.78 MAOB (0.56) MEP1BCD274

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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