SCHEMBL9691305

SCHEMBL9691305

CC(C)(C)OC(=O)C(N)(C(=O)OCc1ccccc1)c1ccc(OCCOC2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ FOXM1 Q08050 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36
▸ ITGB3 P05106 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
SCHEMBL9043111 1.00 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL9043198 1.00 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL192403 0.83 MAOB (0.50) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL193277 0.82 KDM4E (0.44) KDM4EKMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL9042229 0.77 LMNA (0.46) KMT2AALDH1A1LMNA
SCHEMBL4689225 0.77 LMNA (0.46) KMT2AALDH1A1LMNA
SCHEMBL9042525 0.77 CACNA1B (0.51) KDM4EKMT2ASMN1; SMN2ALDH1A1CACNA1B
SCHEMBL9043043 0.77 CACNA1B (0.51) KDM4EKMT2ASMN1; SMN2ALDH1A1CACNA1B
SCHEMBL3379309 0.75 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL2574959 0.74 LTA4H (0.49) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1

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
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 — — EP disclosed
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