SCHEMBL11259834

SCHEMBL11259834

C[C@H](CSSC(COC(=O)C(C)(C)C)[C@@](C)(COC(=O)C(C)(C)C)C(=O)N1C(c2cccc([N+](=O)[O-])c2)SC[C@H]1C(=O)O)C(=O)N1C(c2cccc([N+](=O)[O-])c2)SC[C@H]1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CACNA1F O60840 5/20 0.32
▸ CACNA1D Q01668 5/20 0.32
▸ CACNA1S Q13698 5/20 0.32
▸ CACNA1C Q13936 5/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL11213997 0.88 KMT2A (0.33) PDE5AKMT2AMEN1CYP1A2CYP3A4
SCHEMBL11183365 0.86 POLB (0.38) POLB
SCHEMBL11199902 0.83 SMN1; SMN2 (0.42) PDE5AKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL11196868 0.81 HTT (0.32) LMNAHTT
SCHEMBL11190490 0.68 HTT (0.42) KMT2AHTTPOLB
SCHEMBL11222613 0.67 POLB (0.42) PDE5AKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL10942665 0.67 SMN1; SMN2 (0.45) KMT2ALMNASMN1; SMN2ALDH1A1HTT
SCHEMBL10944369 0.67 SMN1; SMN2 (0.45) KMT2ALMNASMN1; SMN2ALDH1A1HTT
SCHEMBL11199916 0.67 SMN1; SMN2 (0.44) PDE5AKMT2ALMNAMAPTSMN1; SMN2
SCHEMBL11186430 0.66 ALDH1A1 (0.44) ALDH1A1POLB

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-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
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