SCHEMBL13243765

SCHEMBL13243765

CCC(C)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(OC(C)(C)CC)cc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ADAMTS4 O75173 2/20 0.36
ACACB O00763 3/20 0.35
ACACA Q13085 3/20 0.35
MMP2 P08253 3/20 0.35
MMP9 P14780 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CNR1 P21554 1/20 0.34
ELANE P08246 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL9915248 0.92 ALDH1A1 (0.42) CASP1ALDH1A1TSHRLMNANPC1
SCHEMBL15933031 0.91 CNR2 (0.37) CASP1ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL12607202 0.91 MMP2 (0.38) CASP1ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL13243766 0.87 MMP9 (0.42) CASP1ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL12841678 0.84 ALDH1A1 (0.37) CASP1ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL13880572 0.83 ALDH1A1 (0.41) CASP1ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL12087310 0.82 HTT (0.37) ALDH1A1HTTSMN1; SMN2ADAMTS4ACACB
SCHEMBL12608155 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2LMNACNR1ELANE
SCHEMBL825496 0.81 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL15932966 0.81 NPC1 (0.49) CASP1ALDH1A1HTTSMN1; SMN2LMNA

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-20100209810-A1 POLYMER ELECTROLYTE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed