SCHEMBL9641540

SCHEMBL9641540

CC(NO)c1ccc(OC(C)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.52
▸ FFAR1 O14842 1/20 0.51
▸ LTB4R Q15722 8/20 0.49
▸ LTB4R2 Q9NPC1 8/20 0.49
▸ S1PR5 Q9H228 2/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ ACP3 P15309 2/20 0.41

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
SCHEMBL9641120 0.85 KMT2A (0.48) ALOX5FFAR1ALDH1A1
SCHEMBL6904351 0.83 FFAR1 (0.61) ALOX5FFAR1LTB4RLTB4R2S1PR5
SCHEMBL3984108 0.81 TDP1 (0.48) ALDH1A1KCNH2ACP3
SCHEMBL3044206 0.81 TDP1 (0.48) ALDH1A1KCNH2ACP3
SCHEMBL3984623 0.81 TDP1 (0.48) ALDH1A1KCNH2ACP3
SCHEMBL9642280 0.81 ACACB (0.65) ALOX5FFAR1LTB4RLTB4R2
SCHEMBL14268020 0.80 ALOX5 (0.55) ALOX5FFAR1LTB4RLTB4R2S1PR5
SCHEMBL4363303 0.79 FFAR1 (0.56) ALOX5FFAR1LTB4RLTB4R2S1PR5
Hydrochloric Acid SCHEMBL8783045 0.79 MEN1 (0.50) ALDH1A1KCNH2ACP3
SCHEMBL10767870 0.78 FFAR1 (0.57) ALOX5FFAR1LTB4RLTB4R2S1PR5

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
EP-0279281-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-08-26 — — EP disclosed
US-5026729-A Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1991-06-25 — — US disclosed
US-4897422-A TREATMENT OF ASTHMA, RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1990-01-30 — — US disclosed
EP-0279281-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-08-24 — — EP disclosed
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