SCHEMBL9005955

SCHEMBL9005955

CC(=O)N(O)Cc1ccc(OCCNCc2nc3ccccc3o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ PPARG P37231 10/20 0.44
▸ DRD4 P21917 1/20 0.41
▸ PPARA Q07869 1/20 0.40
▸ P2RY14 Q15391 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SLC40A1 Q9NP59 1/20 0.38

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
SCHEMBL9160316 0.90 PPARG (0.42) PPARGDRD4PPARAP2RY14PDE10A
SCHEMBL7922696 0.81 PPARG (0.64) PPARGDRD4LTA4HTP53
SCHEMBL9005904 0.81 DRD4 (0.46) PPARGDRD4KMT2ALMNATP53
SCHEMBL7926603 0.81 PPARG (0.50) PPARGPPARA
SCHEMBL9005930 0.80 ALDH1A1 (0.50) PPARGDRD4KMT2ALMNATP53
SCHEMBL7922719 0.80 PPARG (0.48) PPARGDRD4PPARA
SCHEMBL2786491 0.79 PPARG (0.53) PPARGDRD4PPARA
SCHEMBL7920692 0.79 PPARG (0.50) PPARGPPARAKMT2ALTA4H
SCHEMBL9005961 0.78 PPARG (0.68) PPARGPPARA
SCHEMBL4744464 0.78 ATP4A (0.45) DRD4LMNATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541205-A ANTIINFLAMMATORY AGENTS; ANTIASTHMA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 — — US claimed
US-5428048-A Aryl-N-hydroxyureas as inhibitors of 5-lipoxygenase and anto-arteriosclerotic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-27 — — US claimed
US-5541205-A ANTIINFLAMMATORY AGENTS; ANTIASTHMA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 — — US disclosed
US-5428048-A Aryl-N-hydroxyureas as inhibitors of 5-lipoxygenase and anto-arteriosclerotic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-27 — — US disclosed
Send feedback