SCHEMBL12807699

SCHEMBL12807699

CCC(C)(C)Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)(C)CC)cc4)cc3)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.38
▸ POLB P06746 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MCL1 Q07820 2/20 0.36
▸ PTPN1 P18031 2/20 0.35
▸ RRM1 P23921 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33

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
SCHEMBL14730304 0.85 NPC1 (0.37) CASP1POLBNPC1RAB9ACYP2C9
SCHEMBL12807621 0.84 RRM1 (0.34) CASP1POLBNPC1RAB9ACYP2C9
SCHEMBL14557898 0.82 CASP1 (0.38) CASP1POLBNPC1RAB9ACYP2C9
SCHEMBL17814755 0.81 HSD11B1 (0.30) HSD11B1
SCHEMBL12807707 0.80 HSD11B1 (0.36) CASP1PTPN1HSD11B1SCN9A
SCHEMBL12463906 0.80 NPC1 (0.49) CASP1POLBNPC1RAB9ACYP2C9
SCHEMBL14557905 0.79 POLB (0.31) CASP1POLBMAPTRRM1ALDH1A1
SCHEMBL13181443 0.79 MCL1 (0.45) CASP1POLBNPC1RAB9ACYP2C9
SCHEMBL19322781 0.78 NPC1 (0.46) CASP1POLBNPC1RAB9ACYP2C9
SCHEMBL10066693 0.78 NPC1 (0.53) CASP1POLBNPC1RAB9ACYP2C9

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-20110081597-A1 POLYMER ELECTROLYTE, CROSSLINKED POLYMER ELECTROLYTE, POLYMER ELECTROLYTE MEMBRANE AND USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-07 — — US disclosed
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