SCHEMBL5144294

SCHEMBL5144294

CC(C)(C)C(CCc1ccccc1)(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
KEAP1 Q14145 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SSTR4 P31391 1/20 0.43
SLC13A5 Q86YT5 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42

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
SCHEMBL10508659 0.91 ALDH1A1 (0.47) ALDH1A1KEAP1TDP1MAPTPOLB
SCHEMBL6571573 0.82 SLC13A5 (0.59) SLC13A5HDAC1HDAC8FFAR1
SCHEMBL28732435 0.81 ALDH1A1 (0.47) ALDH1A1KEAP1MAPTPOLBNPC1
SCHEMBL173883 0.80 CYP1A2 (0.51) ALDH1A1KEAP1MAPTPOLBNPC1
SCHEMBL30080837 0.80 CYP1A2 (0.51) ALDH1A1KEAP1MAPTPOLBNPC1
SCHEMBL5360398 0.80 SMN1; SMN2 (0.53) ALDH1A1MAPK1SMN1; SMN2CES1
SCHEMBL5475208 0.80 ALDH1A1 (0.50) ALDH1A1KEAP1MAPTPOLBNPC1
SCHEMBL6628038 0.80 ALDH1A1 (0.50) ALDH1A1KEAP1MAPTPOLBNPC1
SCHEMBL6632235 0.80 ALDH1A1 (0.50) ALDH1A1KEAP1MAPTPOLBNPC1
SCHEMBL6476439 0.78 ALDH1A1 (0.48) ALDH1A1KEAP1MAPTPOLBNPC1

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-1240552-B1 WATER-PROCESSABLE PHOTORESIST COMPOSITIONS INTELLECTUAL VENTURES HOLDING 40 LLC (US) 2012-09-19 EP disclosed
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
US-6399273-B1 Water-processable photoresist compositions BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2002-06-04 US disclosed
WO-2001013179-A1 WATER-PROCESSABLE PHOTORESIST COMPOSITIONS BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2001-02-22 WO disclosed