SCHEMBL5167058

SCHEMBL5167058

CC(C(=O)O)C(=O)OC(C)(C)C.c1ccc2c(c1)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.38
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
ELANE P08246 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
ACE P12821 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
GRM7 Q14831 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1088194 0.80 KMT2A (0.37) AAK1MAPTLMNAKMT2A
SCHEMBL1721887 0.80 KMT2A (0.37) AAK1MAPTLMNAKMT2A
SCHEMBL3799840 0.80 KMT2A (0.37) AAK1MAPTLMNAKMT2A
Methylmalonic Acid SCHEMBL21273765 0.79 CYP1A2 (0.41) MAPTATMGRM7LMNA
SCHEMBL26939490 0.78 GRM7 (0.39) ACEMAPTGRM7
Methylamine SCHEMBL23581198 0.77 KMT2A (0.35) AAK1MAPTLMNAKMT2A
SCHEMBL636115 0.75 AAK1 (0.47) AAK1ELANEMAPTTSHRATM
SCHEMBL26939448 0.75 ALDH1A1 (0.47) MAPK1MAPTALOX15ATMKMT2A
SCHEMBL16584668 0.74 TSHR (0.50) ACEALOX15TSHRATMKMT2A
SCHEMBL12345528 0.73 L3MBTL1 (0.54) AAK1ELANEITGA4ITGB7MAPT

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
EP-1240552-A4 WATER-PROCESSABLE PHOTORESIST COMPOSITIONS UNIV TEXAS (US) 2007-10-17 EP disclosed
EP-1240552-A1 WATER-PROCESSABLE PHOTORESIST COMPOSITIONS Board of Regents, The University of Texas System (US) 2002-09-18 EP disclosed
WO-2001013179-A1 WATER-PROCESSABLE PHOTORESIST COMPOSITIONS BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2001-02-22 WO disclosed