SCHEMBL14958924

SCHEMBL14958924

CCC(C)(C)Oc1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(C(CC)(CC)C(C)(CC)Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C(C)(C)CC)c(S(=O)(=O)O)c8)cc7S(=O)(=O)O)cc6)cc5)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.33
▸ NPC1 O15118 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL13918654 0.93 — —
SCHEMBL14958964 0.93 SCN9A (0.31) CASP1
SCHEMBL10066823 0.92 CASP1 (0.35) CASP1NPC1POLBCYP2C9RAB9A
SCHEMBL13918740 0.92 CASP1 (0.31) CASP1NPC1POLBCYP2C9RAB9A
SCHEMBL10066813 0.89 CASP1 (0.36) CASP1NPC1POLBCYP2C9RAB9A
SCHEMBL13918666 0.89 — —
SCHEMBL13918853 0.88 — —
SCHEMBL14958917 0.87 NPC1 (0.30) NPC1POLBCYP2C9RAB9A
SCHEMBL13919082 0.86 SCN9A (0.31) —
SCHEMBL13918647 0.86 — —

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-8445141-B2 Sulfonic acid group-containing polymer, method for producing the same, resin composition containing such sulfonic acid group-containing polymer, polymer electrolyte membrane, polymer electrolyte membrane/electrode assembly, and fuel cell TOYO BOSEKI KABUSHIKI KAISHA (JP) 2013-05-21 — — US disclosed
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