SCHEMBL9645393

SCHEMBL9645393

CCOC(=O)c1cccc(N2CCCC(=O)N2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 1.00
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL9645365 0.85 ALOX5 (0.74) ALOX5ALDH1A1
SCHEMBL9645694 0.78 ALOX5 (1.00) ALOX5
SCHEMBL9454642 0.76 ATM (0.64) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL10144997 0.76 ALOX5 (0.60) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL3097713 0.76 ALOX5 (0.60) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL9647020 0.74 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL2306348 0.74 ALOX5 (0.58) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL10817926 0.73 ALOX5 (0.57) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL14881542 0.72 ALOX5 (0.56) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL9644532 0.72 ALOX5 (1.00) ALOX5ALOX15

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
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed