SCHEMBL20037048

SCHEMBL20037048

C=CCOc1ccccc1NC(=O)CO

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
LIG1 P18858 1/20 0.52
GAA P10253 1/20 0.51
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 5/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADRA2C P18825 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL10745183 0.84 POLB (0.55) POLBLIG1GAAMEN1KMT2A
SCHEMBL10631908 0.83 BRD4 (0.61) POLBLIG1GAAMEN1KMT2A
SCHEMBL30428722 0.83 BRD4 (0.61) POLBLIG1GAAMEN1KMT2A
SCHEMBL2880147 0.81 POLB (0.52) POLBLIG1GAACYP2C19KMT2A
SCHEMBL7735222 0.80 TSHR (0.52) POLBLIG1GAAALDH1A1L3MBTL1
SCHEMBL14019905 0.77 GAA (0.50) POLBLIG1GAAMEN1KMT2A
SCHEMBL18880258 0.77 ALDH1A1 (0.54) POLBLIG1MEN1KMT2AALDH1A1
SCHEMBL11781967 0.76 ALDH1A1 (0.61) POLBLIG1GAAKMT2AALDH1A1
SCHEMBL14899353 0.76 ALDH1A1 (0.67) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8788960 0.75 MAPT (0.55) POLBGAAMEN1KMT2AALDH1A1

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
WO-2018065607-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2018-04-12 WO disclosed
EP-3305781-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum (DE) 2018-04-11 EP disclosed