SCHEMBL10691859

SCHEMBL10691859

COc1ccc(CCCC(=O)N(C)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 1.00
F2RL1 P55085 1/20 0.56
CALM1 P0DP23 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.53
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52

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
SCHEMBL31329297 0.90 ALOX5 (0.82) ALOX5F2RL1CALM1ALDH1A1POLB
SCHEMBL13792415 0.87 ALOX5 (0.77) ALOX5F2RL1CALM1ALDH1A1POLB
SCHEMBL31329279 0.82 ALOX5 (0.69) ALOX5ALDH1A1POLB
SCHEMBL31329298 0.81 ALOX5 (0.68) ALOX5ALDH1A1BCHEACHE
SCHEMBL10697496 0.81 ALOX5 (1.00) ALOX5ALDH1A1
SCHEMBL659052 0.81 ALOX5 (0.68) ALOX5F2RL1CALM1ALDH1A1POLB
SCHEMBL503646 0.81 ALOX5 (0.68) ALOX5F2RL1CALM1ALDH1A1
SCHEMBL1105476 0.81 ALOX5 (0.68) ALOX5F2RL1CALM1ALDH1A1POLB
SCHEMBL31329305 0.80 ALOX5 (0.67) ALOX5F2RL1CALM1ALDH1A1POLB
SCHEMBL8790474 0.80 ALOX5 (0.66) ALOX5F2RL1CALM1ALDH1A1BCHE

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-0196674-A2 Hydroxamates as modulators of arachidonic acid metabolic pathways USV PHARMACEUTICAL CORPORATION (US) 1986-10-08 EP claimed
US-4792560-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-12-20 US disclosed
EP-0196674-A2 Hydroxamates as modulators of arachidonic acid metabolic pathways USV PHARMACEUTICAL CORPORATION (US) 1986-10-08 EP disclosed