SCHEMBL5000745

SCHEMBL5000745

CC12CC3(C)CC(c4ccc(O)c([N+](=O)[O-])c4)(C1)CC(C14CC5(C)CC(C)(CC(c6ccc(O)c([N+](=O)[O-])c6)(C5)C1)C4)(C2)C3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GPR35 Q9HC97 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL2747766 0.76 ALDH1A1 (0.38) ALDH1A1MAPK1HPGDSMN1; SMN2L3MBTL1
SCHEMBL31095627 0.75 CA12 (0.42) ALDH1A1GPR35MAPK1TP53HPGD
SCHEMBL5006964 0.75 NPC1 (0.50) ALDH1A1GPR35MAPK1TP53HPGD
SCHEMBL2708086 0.74 GPR35 (0.35) ALDH1A1GPR35MAPK1HPGDALOX15
SCHEMBL2748087 0.72 NPC1 (0.53) ALDH1A1GPR35MAPK1TP53HPGD
SCHEMBL21303541 0.72 ALDH1A1 (0.45) ALDH1A1GPR35MAPK1TP53HPGD
SCHEMBL20590347 0.72 ALDH1A1 (0.45) ALDH1A1GPR35MAPK1TP53HPGD
SCHEMBL31614240 0.72 ALDH1A1 (0.45) ALDH1A1GPR35MAPK1TP53HPGD
SCHEMBL2708094 0.72 PTPN11 (0.44) ALDH1A1MAPK1TP53HPGDSMN1; SMN2
SCHEMBL6623185 0.71 MEN1 (0.61) ALDH1A1GPR35MAPK1TP53HPGD

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-8337982-B2 Comprising first repeating unit obtained by reaction of bisaminophenol compound and dicarboxylic acid, at least one of which has diamondoid structure and second repeating unit obtained by reaction of bisaminophenol compound having no diamondoid structure and dicarboxylic acid; heat resistance SUMITOMO BAKELITE CO., LTD. (JP) 2012-12-25 US disclosed
US-20080206548-A1 Benzoxazole Resin Precursor, Polybenzoxazole Resin, Resin Film And Semiconductor Device SUMITOMO BAKELITE CO., LTD (JP) 2008-08-28 US disclosed
EP-1832619-A1 BENZOXAZOLE RESIN PRECURSOR, POLYBENZOXAZOLE RESIN, RESIN FILM, AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Company, Limited (JP) 2007-09-12 EP disclosed