SCHEMBL9645796

SCHEMBL9645796

O=C1CCCN(c2ccc3c(c2)oc2ccccc23)N1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.56
PTGER4 P35408 1/20 0.46
G6PD P11413 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL1274602 0.73 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL9645803 0.72 AHR (0.43) PTGER4
SCHEMBL9646029 0.71 ALOX5 (0.60) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL19642427 0.71 MAOA (0.55) PTGER4
SCHEMBL9644508 0.70 ALOX5 (0.52) ALOX5
SCHEMBL9644532 0.70 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL10699019 0.70 ALOX5 (0.59) ALOX5
SCHEMBL9645402 0.70 ALOX5 (0.59) ALOX5
SCHEMBL9644528 0.69 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL9644476 0.69 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1

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