SCHEMBL7307524

SCHEMBL7307524

CCOC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GLO1 Q04760 1/20 0.39
▸ RPS6KA2 Q15349 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ KCNJ1 P48048 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
Hydrochloric Acid SCHEMBL7307645 0.81 TNF (0.40) KMT2AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL14558121 0.75 MAPT (0.46) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL14558120 0.73 ALDH1A1 (0.44) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7420931 0.73 ACHE (0.39) KMT2AALDH1A1MAPTMEN1DRD2
SCHEMBL5998428 0.73 DPP7 (0.41) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7423871 0.73 L3MBTL1 (0.41) ALDH1A1MAPTL3MBTL1DRD2ACHE
SCHEMBL15727806 0.73 HTR1A (0.50) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL1295027 0.72 ALDH1A1 (0.61) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7307062 0.71 MAPT (0.46) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL12549292 0.70 SMN1; SMN2 (0.48) ALDH1A1MAPTLMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 — — EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 — — US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 — — EP disclosed
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