SCHEMBL8082769

SCHEMBL8082769

CC(C)(CCN)NC(=O)CO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.30
APAF1 O14727 1/20 0.30
POLB P06746 1/20 0.30
GRK2 P25098 1/20 0.30
DNMT1 P26358 1/20 0.30
PTPN7 P35236 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
PPP1CA P62136 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
PTPN22 Q9Y2R2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL15001325 0.84 ALDH1A1 (0.38) ALDH1A1HPGDL3MBTL1APAF1POLB
SCHEMBL2343419 0.78 ALDH1A1 (0.40) ALDH1A1POLBKDM4E
SCHEMBL497418 0.78 ALDH1A1 (0.40) ALDH1A1KDM4E
SCHEMBL4088521 0.76 ALDH1A1 (0.39) ALDH1A1POLBRECQLMEN1KMT2A
SCHEMBL3392434 0.76 ALDH1A1 (0.39) ALDH1A1BLMKDM4E
Hydrochloric Acid SCHEMBL17142804 0.74 KDM4E (0.38) ALDH1A1BLMMEN1KMT2AKDM4E
SCHEMBL27257381 0.73 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL5354462 0.72 ALDH1A1 (0.70) ALDH1A1L3MBTL1POLBGRK2MEN1
SCHEMBL14938581 0.72 ALDH1A1 (0.70) ALDH1A1L3MBTL1POLBGRK2MEN1
SCHEMBL7885120 0.72 ALDH1A1 (0.70) ALDH1A1L3MBTL1POLBGRK2MEN1

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-1033968-A1 ALPHA CARBOXYLIC ACID (AHA) DERIVATIVES CECA S.A. (FR) 2000-09-13 EP disclosed
WO-1999056722-A1 ALPHA CARBOXYLIC ACID (AHA) DERIVATIVES CECA S.A. (FR) 1999-11-11 WO disclosed