SCHEMBL7185804

SCHEMBL7185804

CC(C(=O)N1CN(C(=O)C(C)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CN(C(=O)C(C)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1nc(C(C)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(C(C)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1A O00555 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNB1 Q02641 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDH1 O75874 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GALR3 O60755 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL78348 0.90 CACNA1A (0.41) CACNA1ACACNA2D1CACNB1ALDH1A1LMNA
SCHEMBL39495 0.81 CA2 (0.50) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL7185815 0.80 HSP90AA1 (0.37) CACNA1ACACNA2D1CACNB1LMNAIDH1
SCHEMBL6360901 0.77 CACNA1A (0.39) CACNA1ACACNA2D1CACNB1ALDH1A1LMNA
SCHEMBL8606475 0.76 GAA (0.44) CACNA1ACACNA2D1CACNB1ALDH1A1GAA
SCHEMBL9121994 0.72 CA2 (0.44) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL11702172 0.71 CA2 (0.50) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL8466395 0.71 CYP3A4 (0.45) ALDH1A1LMNAGAATSHRMEN1
SCHEMBL284652 0.71 CA2 (0.58) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL7191036 0.70 CACNA1A (0.33) CACNA1ACACNA2D1CACNB1ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569926-B1 Mixture containing epoxy compound and imidazolidone compoound CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-27 US disclosed
US-5719257-A OBTAINED BY ANIONIC POLYMERIZATION OF DERIVATIVES OF 2,2,6,6-TETRAMETHYL-4-/2,3-EPOXYPROPOXY/PIPERIDINE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-02-17 US disclosed