SCHEMBL13429536

SCHEMBL13429536

COC(=O)c1cc(C2(c3ccc(O)c(C(=O)OC)c3)c3cc(Br)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ GALR3 O60755 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL15458099 0.86 HIF1A (0.39) HIF1ASMN1; SMN2CA1CA2CA9
SCHEMBL18560275 0.83 CA12 (0.44) HIF1ACA1CA2CA9CA12
SCHEMBL13429588 0.81 CA12 (0.43) SMN1; SMN2CA1CA2CA9CA12
SCHEMBL13429819 0.81 CA12 (0.43) SMN1; SMN2CA1CA2CA9CA12
SCHEMBL16330271 0.79 CA12 (0.41) SMN1; SMN2CA1CA2CA9CA12
SCHEMBL18252711 0.79 CA1 (0.53) HIF1ACA1CA2CA9CA12
SCHEMBL15443732 0.78 SMN1; SMN2 (0.41) SMN1; SMN2CA1CA2CA9CA12
SCHEMBL13429652 0.78 CA12 (0.39) SMN1; SMN2CA1CA2CA9CA12
SCHEMBL13429528 0.75 PTPN11 (0.43) HPGD
SCHEMBL13430082 0.74 CA12 (0.36) SMN1; SMN2CA1CA2CA9CA12

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-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 — — US disclosed
US-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 — — US disclosed
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