SCHEMBL20488646

SCHEMBL20488646

CCOC(=O)C(c1ccccc1)N1CCCC1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 2/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
CCR5 P51681 1/20 0.40
KCNA3 P22001 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
MMP8 P22894 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 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
SCHEMBL20480922 0.79 CCR5 (0.48) KMT2AL3MBTL1CCR5KCNA3CKS1B
SCHEMBL20480923 0.79 CCR5 (0.48) KMT2AL3MBTL1CCR5KCNA3CKS1B
SCHEMBL7733119 0.77 ACE (0.50) KMT2AL3MBTL1ACE
SCHEMBL6689176 0.77 ACE (0.50) KMT2AL3MBTL1ACE
Hydrochloric Acid SCHEMBL7949418 0.76 ACE (0.49) KMT2AL3MBTL1ACE
Hydrochloric Acid SCHEMBL7952862 0.76 ACE (0.49) KMT2AL3MBTL1ACE
SCHEMBL7710458 0.72 KMT2A (0.60) KMT2AL3MBTL1KCNA3KDM1AMAOB
SCHEMBL6172743 0.72 L3MBTL1 (0.51) KMT2AL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL14127113 0.70 KCNA3 (0.52) KMT2AL3MBTL1CCR5KCNA3KDM1A
SCHEMBL13962893 0.70 GLS (0.55) KMT2AALDH1A1KDM4ESMN1; SMN2MEN1

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
WO-2018160521-A2 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Lazuli, Inc. (US) 2018-09-07 WO disclosed