SCHEMBL5868975

SCHEMBL5868975

C=CCOC(=O)CCc1c2nc(c(-c3nccn3C)c3ccc([nH]3)c(CCC(=O)OCC=C)c3nc(c(CCCCCCC)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 1/20 0.33
▸ TUBB6 Q9BUF5 1/20 0.33
▸ TUBB2B Q9BVA1 1/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.33

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
SCHEMBL5868982 0.89 TOP1 (0.35) GAA
SCHEMBL7717047 0.83 TERT (0.37) —
SCHEMBL5868985 0.82 ABCG2 (0.40) TSHRALDH1A1
SCHEMBL7158629 0.77 TOP1 (0.36) —
SCHEMBL7155911 0.76 TOP1 (0.36) —
SCHEMBL5869005 0.76 ABCG2 (0.42) TSHRALDH1A1
SCHEMBL6099752 0.76 TERT (0.32) —
SCHEMBL7161173 0.75 STAT3 (0.38) —
SCHEMBL6101961 0.75 TERT (0.30) —
SCHEMBL6101513 0.75 TERT (0.31) —

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-7094866-B2 Covalently fixed porphyrin polymer having porphyrin metal complex substituted with coordinating hetero aromatic ring as constituting unit thereof,and method of producing the same NARA INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 2006-08-22 — — US disclosed
US-20040072988-A1 Covalently fixed porphyrin polymer having porphyrin metal complex substituted with coordinating hetero aromatic ring as constituting unit thereof,and method of producing the same NARA INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 2004-04-15 — — US disclosed
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