SCHEMBL7534836

SCHEMBL7534836

CCOC(=O)N1CCc2cc(OCCOC)c(C(=O)OC)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAP3K5 Q99683 7/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
ABCB1 P08183 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7538218 0.86 SIGMAR1 (0.47) KMT2AMAP3K5MAPTMEN1
SCHEMBL8196776 0.79 KDM4E (0.50) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL8195897 0.77 DHODH (0.43) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL7487453 0.77 DHODH (0.43) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL7542447 0.76 KMT2A (0.42) KMT2AMAP3K5MAPTMEN1ALDH1A1
SCHEMBL22466082 0.76 MAP3K5 (0.51) MAP3K5MAPTALDH1A1HTT
SCHEMBL21954157 0.73 ESR2 (0.56) KMT2AMAP3K5MEN1
SCHEMBL30390511 0.73 ESR2 (0.56) KMT2AMAP3K5MEN1
SCHEMBL26132579 0.73 ESR2 (0.56) KMT2AMAP3K5MEN1
SCHEMBL8187218 0.72 MEN1 (0.41) KMT2AMAP3K5MAPTMEN1ALDH1A1

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
EP-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed