SCHEMBL10695970

SCHEMBL10695970

COc1ccc(CC(=O)N(O)CCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 1.00
LTB4R Q15722 3/20 0.56
LTB4R2 Q9NPC1 3/20 0.56
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
LPAR1 Q92633 1/20 0.51
LPAR5 Q9H1C0 1/20 0.51

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
SCHEMBL10697496 0.86 ALOX5 (1.00) ALOX5ALDH1A1NPC1RAB9A
SCHEMBL10693993 0.84 ALOX5 (1.00) ALOX5LTB4RLTB4R2
SCHEMBL11574138 0.79 ALOX5 (0.65) ALOX5LTB4RLTB4R2ALDH1A1NPC1
SCHEMBL10692128 0.79 ALOX5 (0.88) ALOX5LTB4RLTB4R2
SCHEMBL10695836 0.79 ALOX5 (0.88) ALOX5LTB4RLTB4R2
SCHEMBL10692771 0.77 ALOX5 (1.00) ALOX5LTB4RLTB4R2
SCHEMBL27882351 0.77 ALOX5 (0.63) ALOX5ALDH1A1NPC1RAB9ALPAR1
SCHEMBL4032340 0.76 NPC1 (0.66) ALOX5ALDH1A1NPC1RAB9A
SCHEMBL28267555 0.76 TDP1 (0.69) ALOX5ALDH1A1NPC1RAB9A
SCHEMBL341939 0.76 ALOX5 (0.60) ALOX5LTB4RLTB4R2ALDH1A1

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