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SCHEMBL11079532

SCHEMBL11079532

CCOC(=O)Cc1cccc(OCC(CNC(C)CCc2ccccc2)OC(=O)/C=C/C(=O)OC(CNC(C)CCc2ccccc2)COc2cccc(CC(=O)OCC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LTB4R Q15722 1/20 0.39
▸ LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL11075561 0.88 ALDH1A1 (0.50) MEN1ALDH1A1KMT2ASMN1; SMN2LTB4R
SCHEMBL11072987 0.85 MEN1 (0.67) MEN1ALDH1A1KMT2A
Fumaric Acid SCHEMBL11079526 0.85 MEN1 (0.61) MEN1ALDH1A1KMT2A
Fumaric Acid SCHEMBL11079537 0.85 MEN1 (0.61) MEN1ALDH1A1KMT2A
SCHEMBL11078899 0.76 MEN1 (0.70) MEN1ALDH1A1KMT2A
SCHEMBL10956793 0.73 PPARA (0.51) —
Fumaric Acid SCHEMBL11075563 0.73 ALDH1A1 (0.65) MEN1ALDH1A1KMT2ASMN1; SMN2
Fumaric Acid SCHEMBL11075555 0.73 ALDH1A1 (0.65) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11076646 0.73 ALDH1A1 (0.71) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9683318 0.72 ALDH1A1 (0.58) MEN1ALDH1A1KMT2ASMN1; SMN2

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-4450115-A ADRENERGIC BLOCKING AGENTS; HYPOTENSIVE AND CARDIOTONIC AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1984-05-22 — — US disclosed
US-4381398-A Amino-alcohol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-04-26 — — US disclosed