SCHEMBL9428016

SCHEMBL9428016

CC(c1ccc(-c2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1)N(O)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.63
PPARA Q07869 1/20 0.47
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL9427979 0.91 ALOX5 (0.50) ALOX5PPARAALDH1A1RAB9ANPC1
SCHEMBL9428612 0.83 PTGS2 (0.51) ALOX5PPARAALDH1A1RAB9ANPC1
SCHEMBL9427934 0.83 PPARA (0.47) ALOX5PPARAALDH1A1RAB9ANPC1
SCHEMBL9427325 0.82 ALDH1A1 (0.48) ALOX5PPARAALDH1A1RAB9ANPC1
SCHEMBL9427717 0.82 ALOX5 (0.52) ALOX5PPARAALDH1A1RAB9ANPC1
SCHEMBL9472825 0.81 PPARA (0.46) ALOX5PPARAALDH1A1RAB9ANPC1
SCHEMBL13140274 0.79 FFAR1 (0.53) ALOX5PPARAALDH1A1RAB9ANPC1
SCHEMBL9428747 0.79 ALOX5 (0.60) ALOX5PPARAALDH1A1RAB9ANPC1
SCHEMBL9263830 0.79 PPARA (0.51) ALOX5PPARAALDH1A1RAB9ANPC1
SCHEMBL9590918 0.79 PPARA (0.48) ALOX5PPARAALDH1A1RAB9ANPC1

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-5218124-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-08 US claimed
US-5364944-A Antiinflammatory, antiallergic and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-15 US disclosed
US-5218124-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-08 US disclosed