SCHEMBL6761852

SCHEMBL6761852

COC(=O)c1cc(-c2ccccc2)cc(C(=O)OC)c1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA5A P35218 1/20 0.45
AXL P30530 1/20 0.45
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
EGFR P00533 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
SCHEMBL28726425 0.80 TSHR (0.53) NR4A2KMT2AMAPTHPGDMEN1
SCHEMBL433518 0.79 CA1 (0.53) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL23432774 0.78 EGFR (0.62) MAPTALDH1A1CA1CA2CA9
SCHEMBL3965219 0.78 CA1 (0.51) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL4178504 0.78 CA1 (0.51) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL27647423 0.78 CA1 (0.51) KMT2AMAPTMEN1ALDH1A1KDM4E
Water SCHEMBL27375204 0.78 CA1 (0.51) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL375000 0.78 CA1 (0.51) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL8591498 0.77 ALOX15 (0.50) KMT2AMAPTHPGDMEN1ALDH1A1
Dimethyl Phthalate SCHEMBL3686830 0.77 TSHR (0.63) NR4A2KMT2AMAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818723-B2 REACTION PRODUCT OF AT LEAST ONE ORGANIC DIOL MONOMER, AT LEAST ONE ORGANIC DIACID MONOMER OR AT LEAST ONE DIESTER MONOMER, AT LEAST ONE CARBINOL CARBOXY TERMINATED POLYDIMETHYLSILOXANE, AND AN ION SALT OF SULFONATE XEROX CORPORATION 2004-11-16 US disclosed
US-20030236379-A1 Sulfonated polyester-siloxane resin XEROX CORPORATION 2003-12-25 US disclosed
US-6664015-B1 Diacid, diol, and carbinol carboxy terminated polydimethylsiloxane comonomers with at least one being a sulfonate salt; paints, toners, protective coatings XEROX CORPORATION 2003-12-16 US disclosed