SCHEMBL13872399

SCHEMBL13872399

O=C(O)CCn1nnc(C(=O)O)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.62
▸ PTGES O14684 11/20 0.56
▸ EGLN3 Q9H6Z9 1/20 0.46
▸ KMO O15229 4/20 0.42
▸ MAPK1 P28482 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL21220006 0.77 NPC1 (0.57) NPC1PTGESHPGD
SCHEMBL5252893 0.72 PTGES (0.54) NPC1PTGESMAPK1HPGD
SCHEMBL4143003 0.70 HPGD (0.69) NPC1PTGESHPGD
SCHEMBL9914070 0.70 NPC1 (0.57) NPC1PTGESHPGD
SCHEMBL17755886 0.68 EGLN3 (0.47) NPC1EGLN3KMOMAPK1
SCHEMBL3278160 0.67 NPC1 (0.53) NPC1PTGESMAPK1HPGD
SCHEMBL9915189 0.66 NPC1 (0.52) NPC1PTGESHPGD
SCHEMBL28711074 0.64 MAPK1 (0.50) EGLN3KMOMAPK1HPGDHSD11B1
SCHEMBL20159606 0.64 NPC1 (0.42) NPC1PTGESEGLN3
SCHEMBL829121 0.64 EGLN3 (0.44) EGLN3KMOMAPK1HPGDHSD11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090087988-A1 POLISHING LIQUID AND POLISHING METHOD FUJIFILM CORPORATION (JP) 2009-04-02 — — US disclosed
US-20090087988-A1 POLISHING LIQUID AND POLISHING METHOD FUJIFILM CORPORATION (JP) 2009-04-02 — — US disclosed
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