SCHEMBL13181464

SCHEMBL13181464

CCC(C)Oc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)(C)CC)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ PTGDR Q13258 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ PPARD Q03181 1/20 0.30
▸ ELANE P08246 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
SCHEMBL13181467 0.93 CASP1 (0.33) MAPTCASP1PTGDRKDM4EPKM
SCHEMBL13181465 0.88 MAPT (0.36) MAPTCASP1PTGDRKDM4EPOLB
SCHEMBL13181447 0.87 HDAC1 (0.33) TSHRPOLBALDH1A1SMN1; SMN2ELANE
SCHEMBL14546134 0.86 CASP1 (0.34) MAPTCASP1KDM4EPKMTSHR
SCHEMBL12807624 0.85 MAPT (0.34) MAPTCASP1PTGDRKDM4EPKM
SCHEMBL13181479 0.85 CASP1 (0.35) MAPTCASP1KDM4EPKMTSHR
SCHEMBL14546136 0.84 CASP1 (0.36) MAPTCASP1KDM4EPKMTSHR
SCHEMBL21715645 0.82 MMP14 (0.38) PTGDRKDM4EPKMTSHRPOLB
SCHEMBL13818319 0.81 MMP3 (0.36) MAPTPTGDRKDM4EPKMTSHR
SCHEMBL14958946 0.81 — —

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
US-7803884-B2 Block copolymers and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-28 — — US disclosed
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