SCHEMBL20037239

SCHEMBL20037239

C=CCOc1ccccc1NC(=O)COC(=O)Cc1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.51
ALDH1A1 P00352 5/20 0.51
THRB P10828 1/20 0.51
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL20037200 0.87 L3MBTL1 (0.48) L3MBTL1ALDH1A1THRBPOLBSMN1; SMN2
SCHEMBL7113446 0.77 CYP3A4 (0.49) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL7735222 0.75 TSHR (0.52) L3MBTL1ALDH1A1POLBMAPTTSHR
SCHEMBL20037048 0.74 POLB (0.59) L3MBTL1ALDH1A1POLBMEN1LMNA
SCHEMBL11781967 0.74 ALDH1A1 (0.61) L3MBTL1ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL30428722 0.73 BRD4 (0.61) L3MBTL1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10631908 0.73 BRD4 (0.61) L3MBTL1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10745183 0.71 POLB (0.55) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL2880147 0.71 POLB (0.52) ALDH1A1POLBSMN1; SMN2LMNAKMT2A
SCHEMBL8788960 0.70 MAPT (0.55) L3MBTL1ALDH1A1POLBMEN1LMNA

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