SCHEMBL8029684

SCHEMBL8029684

C=C1C(=O)C2=C(OC(C)C2)c2ccc3ccc(C(C)(C)C)cc3c21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.38
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
NR1I2 O75469 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3333295 0.90 STAT3 (0.42) STAT3ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL8047458 0.82 DNMT1 (0.40) STAT3ALDH1A1RAB9AMAOAMAOB
SCHEMBL8192096 0.78 NQO1 (0.43) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL3327389 0.74 STAT3 (0.50) STAT3ALDH1A1MAOAMAOBHSD17B10
SCHEMBL3334136 0.72 STAT3 (0.43) STAT3ALDH1A1MAOAMAOBHSD17B10
SCHEMBL3337802 0.69 NQO1 (0.48) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL29199272 0.62 STAT3 (0.59) STAT3MAOAMAOB
SCHEMBL31177969 0.62 MAOA (0.54) STAT3ALDH1A1MAOAMAOBHSD17B10
SCHEMBL29135713 0.62 STAT3 (0.53) STAT3MAOAMAOB
SCHEMBL1230608 0.62 MAOA (0.54) STAT3ALDH1A1MAOAMAOBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009084835-A2 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF KIDNEY DISEASES MAZENCE INC. (KR) 2009-07-09 WO disclosed
WO-2009048251-A2 PHARMACEUTICAL COMPOSITION CONTAINING MICRONIZED PARTICLES OF NAPHTHOQUINONE-BASED COMPOUND MAZENCE INC. (KR) 2009-04-16 WO disclosed
WO-2008066294-A1 PHARMACEUTICAL COMPOSITION CONTAINING MICRONIZED PARTICLE OF NAPHTHOQUINONE-BASED COMPOUND MAZENCE INC. (KR) 2008-06-05 WO disclosed
WO-2008066299-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF DISEASES INVOLVING IMPOTENCE MAZENCE INC. (KR) 2008-06-05 WO disclosed
WO-2008066296-A1 PHARMACEUTICAL COMPOSITION CONTAINING PHENANTHRENEQUINONE-BASED COMPOUND FOR INTESTINE DELIVERY SYSTEM MAZENCE INC. (KR) 2008-06-05 WO disclosed