SCHEMBL19975099

SCHEMBL19975099

CC(C)CNC(=O)CC(C)N(C=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
GAA P10253 4/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
OPRM1 P35372 3/20 0.39
OPRK1 P41145 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37

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
SCHEMBL21176216 0.78 KMT2A (0.42) HPGDGAAKDM4ENPSR1ALDH1A1
SCHEMBL21176280 0.78 KMT2A (0.49) HPGDGAAKDM4ENPSR1ALDH1A1
SCHEMBL7100866 0.76 HPGD (0.48) HPGDGAAKDM4ENPSR1ALDH1A1
SCHEMBL11550667 0.72 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL28288363 0.69 CHRNB2 (0.39) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL7815263 0.69 ALDH1A1 (0.40) KDM4ENPSR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10786707 0.69 ALDH1A1 (0.40) KDM4ENPSR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL31016233 0.68 KMT2A (0.50) GAANPSR1KMT2AMAPTMEN1
SCHEMBL6743611 0.68 ALDH1A1 (0.38) KDM4ENPSR1ALDH1A1KMT2AMEN1
SCHEMBL27183337 0.68 LTA4H (0.38)

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
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed