SCHEMBL12807709

SCHEMBL12807709

CCC(C)c1ccc(C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(OC(C)(C)CC)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ FGFR2 P21802 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ NPC1 O15118 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 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
SCHEMBL13064137 0.81 TSHR (0.41) CASP1ALDH1A1TSHRRORCACACB
SCHEMBL12807627 0.79 ALDH1A1 (0.33) CASP1ALDH1A1FGFR2ACACBNPC1
SCHEMBL13181466 0.77 ELANE (0.37) CASP1ALDH1A1FGFR2NPC1RAB9A
SCHEMBL12807721 0.77 SMN1; SMN2 (0.36) ALDH1A1NPC1RAB9AKMT2AMAPK1
SCHEMBL13818618 0.77 CASP1 (0.36) CASP1ALDH1A1PTGDRPTGDR2NPC1
SCHEMBL14557893 0.77 ELANE (0.36) CASP1ALDH1A1FGFR2NPC1RAB9A
SCHEMBL12807699 0.77 CASP1 (0.38) CASP1ALDH1A1TSHRACACBNPC1
SCHEMBL12807625 0.76 RORC (0.39) CASP1RORC
SCHEMBL14730305 0.74 SIRT1 (0.40) ALDH1A1FGFR2NPC1RAB9AKMT2A
SCHEMBL14557906 0.73 ELANE (0.33) CASP1ALDH1A1FGFR2NPC1RAB9A

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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