SCHEMBL9384536

SCHEMBL9384536

O=C(O)CCOc1cc(C(=O)O)nc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.62
▸ LMNA P02545 1/20 0.48
▸ NCF1 P14598 4/20 0.47
▸ LTB4R Q15722 4/20 0.45
▸ P2RY12 Q9H244 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MGAM O43451 1/20 0.41
▸ ACP1 P24666 1/20 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
SCHEMBL9385188 0.93 ALOX15 (0.61) ALOX15NCF1LTB4RP2RY12
SCHEMBL30438115 0.87 ALOX15 (0.64) ALOX15NCF1LTB4RP2RY12ALDH1A1
SCHEMBL9378807 0.85 ALOX15 (0.66) ALOX15P2RY12ALDH1A1HPGDHSD17B10
SCHEMBL31389295 0.84 ALOX15 (0.61) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL30438659 0.84 ALOX15 (0.69) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL20515870 0.84 ALOX15 (0.69) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL31389263 0.83 ALOX15 (0.59) ALOX15NCF1ALDH1A1HPGD
SCHEMBL18528819 0.82 ALOX15 (0.70) ALOX15LMNANCF1P2RY12ALDH1A1
SCHEMBL31389285 0.82 ALOX15 (0.70) ALOX15LMNANCF1P2RY12ALDH1A1
SCHEMBL10678548 0.82 ACP1 (0.57) LMNALTB4RHPGDACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 — — US claimed
EP-0398283-B1 Excitatory amino acid antagonists MERRELL DOW PHARMA (US) 1994-11-02 — — EP disclosed
US-5112821-A Excitatory amino acid antagonists which are certain thienopyridives MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-12 — — US disclosed
US-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 — — US disclosed
EP-0398283-A1 Excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1990-11-22 — — EP disclosed
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