SCHEMBL6598415

SCHEMBL6598415

COC(=O)c1cccc([O])c1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CFTR P13569 1/20 0.50
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
ATM Q13315 2/20 0.48
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
CA5A P35218 1/20 0.44
ALOX15 P16050 1/20 0.44
PTPRC P08575 1/20 0.44
MYC P01106 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
SCHEMBL1666445 0.87 CA1 (0.64) CA1CA2CA9CA12CA7
SCHEMBL3576571 0.83 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL9815483 0.82 CA1 (0.57) CA1CA2CA9CA12CA7
SCHEMBL162835 0.81 TSHR (0.63) CA1CA2CA9TSHRLMNA
SCHEMBL157121 0.80 CA1 (0.80) CA1CA2CA9CA12CA7
SCHEMBL8669428 0.80 CA1 (0.55) CA1CA2CA9CA12CA7
SCHEMBL29453452 0.80 CA1 (0.80) CA1CA2CA9CA12CA7
SCHEMBL773429 0.80 CA1 (0.55) CA1CA2CA9CA12CA7
SCHEMBL8669430 0.79 TSHR (0.55) CA1CA2CA9CA12CA7
SCHEMBL4313474 0.79 TSHR (0.59) CA1CA2CA9CA12CA7

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-1423372-A2 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2004-06-02 EP disclosed
WO-2003024939-A2 TRIAZINE COMPOUNDS POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2003-03-27 WO disclosed