SCHEMBL1996805

SCHEMBL1996805

CC(C)(C)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.60
ACR P10323 2/20 0.60
MAPT P10636 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TRPV1 Q8NER1 3/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KIF11 P52732 1/20 0.49
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL10956570 0.89 KMT2A (0.56) PRSS1ACRMAPTKMT2AMEN1
SCHEMBL11302255 0.87 LMNA (0.52) PRSS1ACRMAPTTDP1L3MBTL1
SCHEMBL7328271 0.86 ACR (0.58) PRSS1ACRMAPTKMT2AMEN1
SCHEMBL11313701 0.85 KMT2A (0.54) PRSS1ACRKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL7330789 0.85 ACR (0.59) PRSS1ACRMAPTKMT2AMEN1
SCHEMBL3675089 0.85 KMT2A (0.69) PRSS1ACRMAPTKMT2AMEN1
SCHEMBL11316711 0.84 PARP10 (0.61) PRSS1ACRL3MBTL1KMT2AMEN1
SCHEMBL10600357 0.84 PRSS1 (0.68) PRSS1ACRMAPTTDP1L3MBTL1
Hydrochloric Acid SCHEMBL7321119 0.83 PRSS1 (0.70) PRSS1ACRMAPTKMT2AMEN1
SCHEMBL1645313 0.83 KMT2A (0.44) PRSS1ACRMAPTTDP1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960459-B2 Curable composition KANEKA CORPORATION (JP) 2011-06-14 US disclosed
EP-1990371-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2010-05-05 EP disclosed
US-20090186993-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2009-07-23 US disclosed
EP-1990371-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2008-11-12 EP disclosed