SCHEMBL3078787

SCHEMBL3078787

CC(C)CC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.56
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 2/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL13178829 0.85 PTPN1 (0.68) PTPN1LMNAHPGDKMT2AMEN1
SCHEMBL14032687 0.83 SMN1; SMN2 (0.65) PTPN1LMNAHPGDKMT2AMEN1
SCHEMBL23565787 0.82 KDM4E (0.57) PTPN1LMNAHPGDKMT2AMEN1
SCHEMBL29141123 0.79 KMT2A (0.56) HPGDKMT2AMEN1RAB9AGAA
SCHEMBL5705415 0.78 GAA (0.54) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL21765873 0.77 PTPN1 (0.88) PTPN1LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL1821602 0.76 GAA (0.61) LMNAHPGDKMT2AMEN1RAB9A
SCHEMBL1949544 0.76 MEN1 (0.50) PTPN1LMNAHPGDKMT2AMEN1
SCHEMBL13390827 0.76 KMT2A (0.61) LMNAHPGDKMT2AMEN1RAB9A
SCHEMBL1808155 0.76 GAA (0.56) KMT2AMEN1RAB9AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298389-B1 METHOD OF DETERMINING THE SEQUENCE OF A NUCLEIC ACID USING TIME RESOLVED LUMINESCENCE QUANTUM SI INC (US) 2021-09-29 EP disclosed
US-7790793-B2 Amide nucleating agent compositions CIBA SPECIALTY CHEM. CORP. (US) 2010-09-07 US disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 US disclosed
EP-1592738-A2 RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004072168-A2 RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-26 WO disclosed