SCHEMBL10463764

SCHEMBL10463764

CCOC(=O)c1nnn(-c2cccc3ccc4c(C(=O)OCC)c(C(=O)OCC)[nH]c4c23)c1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ SLC5A1 P13866 4/20 0.39
▸ SLC5A2 P31639 4/20 0.39
▸ TSHR P16473 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ SPR P35270 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL10464748 0.89 PDE4B (0.39) TP53ALOX12ALDH1A1HSD17B10TSHR
SCHEMBL10463199 0.84 TP53 (0.52) TP53ALOX12ALDH1A1HSD17B10SLC5A1
SCHEMBL10463775 0.81 TUBB4A (0.34) TP53ALDH1A1HSD17B10SLC5A1SLC5A2
SCHEMBL10463922 0.80 CYP1A2 (0.36) ALDH1A1HSD17B10TSHRKMT2AADORA3
SCHEMBL10464236 0.78 ALOX15 (0.47) ALDH1A1KMT2AGAAHPGDMEN1
SCHEMBL10463769 0.77 ALDH1A1 (0.54) TP53ALOX12ALDH1A1HSD17B10SLC5A1
SCHEMBL10461607 0.72 KMT2A (0.51) ALOX12ALDH1A1HSD17B10KMT2AGAA
SCHEMBL10463778 0.71 ALOX15 (0.41) ALDH1A1KMT2AGAAKDM4EHPGD
SCHEMBL8795115 0.66 RXFP1 (0.62) ALDH1A1KMT2AGAALMNAHPGD
SCHEMBL8794998 0.66 GAA (0.58) TP53ALDH1A1TSHRKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4959479-A PESTICIDES, DRUGS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1990-09-25 — — US claimed
US-4959479-A PESTICIDES, DRUGS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1990-09-25 — — US disclosed
US-4889937-A MEDICINES, PESTICIDES AND INDUSTRIAL CHEMICALS AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1989-12-26 — — US disclosed
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