SCHEMBL9005930

SCHEMBL9005930

COC(=O)NCCc1ccc(OCCNCc2nc3ccccc3o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ PPARG P37231 3/20 0.48
▸ DRD4 P21917 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SLC40A1 Q9NP59 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL7922696 0.87 PPARG (0.64) ALDH1A1PPARGDRD4TP53
SCHEMBL9005904 0.81 DRD4 (0.46) PPARGDRD4TP53KMT2AMEN1
SCHEMBL7920692 0.81 PPARG (0.50) PPARGKMT2A
SCHEMBL7926603 0.81 PPARG (0.50) PPARG
SCHEMBL9005955 0.80 ALOX5 (0.47) PPARGDRD4TP53KMT2ALMNA
SCHEMBL9005926 0.80 PPARG (0.76) PPARG
SCHEMBL7920667 0.79 PPARG (0.42) ALDH1A1PPARGDRD4KMT2ALMNA
SCHEMBL2786491 0.79 PPARG (0.53) PPARGDRD4
SCHEMBL9160316 0.78 PPARG (0.42) PPARGDRD4TP53KMT2ALMNA
SCHEMBL7922719 0.78 PPARG (0.48) PPARGDRD4

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-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
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