SCHEMBL9005906

SCHEMBL9005906

O=Cc1ccc(OCCc2noc(-c3ccccc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.57
PPARG P37231 10/20 0.57
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
FFAR1 O14842 1/20 0.52
PPARD Q03181 5/20 0.47
NOTUM Q6P988 1/20 0.47
AOC3 Q16853 2/20 0.43
HDAC6 Q9UBN7 1/20 0.42
HTT P42858 2/20 0.41
MAOB P27338 1/20 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
SCHEMBL9005957 0.84 PPARA (0.54) PPARAPPARGNPC1RAB9AMAPT
SCHEMBL7609215 0.79 PPARA (0.45) PPARAPPARGPPARDAOC3
SCHEMBL9005912 0.78 PPARG (0.60) PPARAPPARGNPC1RAB9AMAPT
SCHEMBL4747685 0.78 FFAR1 (0.52) PPARAPPARGRAB9ASMN1; SMN2KDM4E
SCHEMBL4746469 0.76 PPARG (0.73) PPARAPPARGPPARD
SCHEMBL4744152 0.75 PPARG (0.55) PPARAPPARGPPARD
SCHEMBL9005959 0.75 PPARA (0.60) PPARAPPARGFFAR1PPARDNOTUM
SCHEMBL6970285 0.72 PPARG (0.65) PPARAPPARGPPARD
SCHEMBL10115511 0.72 NPC1 (0.93) PPARAPPARGNPC1RAB9AMAPT
SCHEMBL1299974 0.72 RAB9A (0.61) PPARAPPARGNPC1RAB9AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541205-A ANTIINFLAMMATORY AGENTS; ANTIASTHMA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US disclosed
US-5428048-A Aryl-N-hydroxyureas as inhibitors of 5-lipoxygenase and anto-arteriosclerotic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-27 US disclosed