SCHEMBL27540746

SCHEMBL27540746

CC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MME P08473 2/20 0.51
▸ ACE P12821 1/20 0.51
▸ ACE2 Q9BYF1 1/20 0.51
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ PAM P19021 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MMP1 P03956 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ CTRB1 P17538 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 1/20 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
SCHEMBL244885 0.86 NPSR1 (0.69) NPSR1MMEACEACE2MMP1
SCHEMBL17468460 0.86 NPSR1 (0.69) NPSR1MMEACEACE2MMP1
SCHEMBL12863002 0.86 NPSR1 (0.69) NPSR1MMEACEACE2MMP1
SCHEMBL683352 0.84 NPSR1 (0.55) NPSR1MMEACEACE2CTSS
SCHEMBL684246 0.84 NPSR1 (0.55) NPSR1MMEACEACE2CTSS
Acetone SCHEMBL27555461 0.84 NPSR1 (0.51) NPSR1MMEACEACE2CTSS
SCHEMBL12862963 0.83 NPSR1 (0.54) NPSR1MMEACEACE2MMP1
SCHEMBL24264732 0.82 TAAR1 (0.48) MMECTSSCTSKPAMNPC1
SCHEMBL12863012 0.82 ATM (0.63) RAB9APOLBL3MBTL1LMNA
SCHEMBL20802463 0.82 NPSR1 (0.52) NPSR1MMEACEACE2CTSS

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
CN-1289333-A Oxazole derivatives as serotonin-1A receptor ogonists AMERICAN HOME PROD (US) 2001-03-28 — — CN disclosed
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