SCHEMBL9428612

SCHEMBL9428612

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.51
ALDH1A1 P00352 4/20 0.50
PPARA Q07869 2/20 0.48
RAB9A P51151 6/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
ALOX5 P09917 1/20 0.48
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL9589972 0.89 ALOX5 (0.56) PTGS2ALDH1A1PPARARAB9AMAPT
SCHEMBL9590715 0.89 ALOX5 (0.56) PTGS2ALDH1A1PPARARAB9AMAPT
SCHEMBL9427934 0.89 PPARA (0.47) ALDH1A1PPARARAB9AMAPTKDM4E
SCHEMBL9427325 0.87 ALDH1A1 (0.48) ALDH1A1PPARARAB9AMAPTKDM4E
SCHEMBL9427556 0.86 RAB9A (0.49) ALDH1A1PPARARAB9AMAPTKDM4E
SCHEMBL13140274 0.84 FFAR1 (0.53) ALDH1A1PPARARAB9AMAPTKDM4E
SCHEMBL9427979 0.84 ALOX5 (0.50) ALDH1A1PPARARAB9AALOX5NPC1
SCHEMBL9428016 0.83 ALOX5 (0.63) ALDH1A1PPARARAB9AMAPTKDM4E
SCHEMBL9428441 0.81 KDM4E (0.58) ALDH1A1PPARARAB9AMAPTKDM4E
SCHEMBL9427717 0.81 ALOX5 (0.52) ALDH1A1PPARARAB9AMAPTKDM4E

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-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