SCHEMBL12807619

SCHEMBL12807619

CCC(C)c1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(OC(C)(CC)CC)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.33
▸ SRD5A2 P31213 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ELANE P08246 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL12807628 0.87 CASP1 (0.31) CASP1
SCHEMBL13818618 0.83 CASP1 (0.36) CASP1NPC1USP2RAB9ASMN1; SMN2
SCHEMBL14557904 0.80 ELANE (0.30) ELANE
SCHEMBL13142815 0.79 CASP1 (0.33) CASP1NPC1USP2RAB9ASMN1; SMN2
SCHEMBL10066818 0.78 CASP1 (0.37) CASP1SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL12834717 0.74 ESRRA (0.36) CASP1NPC1USP2RAB9ASMN1; SMN2
SCHEMBL13142202 0.73 LMNA (0.35) SMN1; SMN2HSD17B10ELANENPSR1ALDH1A1
SCHEMBL13244480 0.73 RARG (0.36) ALDH1A1LMNAMAPTKMT2A
SCHEMBL14364635 0.73 ALDH1A1 (0.31) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL10066819 0.73 ALDH1A1 (0.31) NPC1USP2RAB9ASMN1; SMN2HSD17B10

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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