Sugi Predict

Sugi Predict / Compounds / SCHEMBL14958915

SCHEMBL14958915

SCHEMBL14958915

CCC(C)(C)c1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(OC(C)(CC)C(C)(CC)c5ccc(C(=O)c6ccc(Oc7ccc(C(C)(C)c8ccc(OC(C)(C)C)cc8)cc7)c(S(=O)(=O)O)c6)cc5S(=O)(=O)O)cc4)cc3)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RRM1 P23921 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CASP1 P29466 2/20 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
SCHEMBL14958917 0.94 NPC1 (0.30) RRM1NPC1POLBCYP2C9RAB9A
SCHEMBL13918744 0.90 RRM1 (0.32) RRM1
SCHEMBL13918740 0.89 CASP1 (0.31) NPC1POLBCYP2C9RAB9ACASP1
SCHEMBL13919841 0.87 SCN9A (0.30) CASP1
SCHEMBL10067129 0.86 CASP1 (0.36) RRM1NPC1POLBCYP2C9RAB9A
SCHEMBL13918647 0.86 — —
SCHEMBL13918655 0.85 RRM1 (0.31) RRM1
SCHEMBL13918913 0.83 RRM1 (0.33) RRM1
SCHEMBL10066823 0.83 CASP1 (0.35) NPC1POLBCYP2C9RAB9AMEN1
SCHEMBL13918663 0.81 — —

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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