SCHEMBL13823010

SCHEMBL13823010

CCC(C)(C)Oc1ccc(-c2ccc(-c3ccc(S(=O)(=O)c4ccc(C(C)(CC)CC)cc4)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
ELANE P08246 2/20 0.39
PKM P14618 3/20 0.39
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
MMP12 P39900 4/20 0.35
MMP1 P03956 3/20 0.35
MMP3 P08254 3/20 0.35
MMP8 P22894 3/20 0.35
MMP13 P45452 3/20 0.35
MMP14 P50281 3/20 0.35
MMP16 P51512 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL9915249 0.96 HTT (0.39) HSD11B1ELANEPKMGAANPSR1
SCHEMBL12961576 0.96 HSD11B1 (0.42) HSD11B1ELANEPKMGAANPSR1
SCHEMBL13822218 0.94 HSD11B1 (0.36) HSD11B1ELANEPKMGAANPSR1
SCHEMBL16260250 0.92 HTT (0.37) HSD11B1ELANEPKMGAANPSR1
SCHEMBL22202018 0.88 HTT (0.39) HSD11B1ELANEPKMGAANPSR1
SCHEMBL13064047 0.88 HTT (0.39) HSD11B1ELANEPKMGAANPSR1
SCHEMBL13918652 0.87 HTT (0.33) HSD11B1ELANEPKMMMP2MMP9
SCHEMBL10709557 0.86 PKM (0.50) HSD11B1ELANEPKMGAANPSR1
SCHEMBL14364646 0.86 HTT (0.40) HSD11B1ELANEPKMGAANPSR1
SCHEMBL12015735 0.85 HSD11B1 (0.43) HSD11B1ELANEPKMGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858977-B1 POLYPHENYLENE-POLY(ARYL ETHER SULFONE) BLENDS, ARTICLES AND METHOD SOLVAY ADVANCED POLYMERS LLC (US) 2009-06-10 EP disclosed