SCHEMBL5167215

SCHEMBL5167215

CC(C)(C)c1ccccc1C(C)(C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
CA2 P00918 1/20 0.44
ATM Q13315 1/20 0.43
RBP4 P02753 2/20 0.42
HSD11B1 P28845 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39

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
Bicarbonate SCHEMBL28291099 0.85 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL28374037 0.82 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL1807676 0.82 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL15365020 0.80 CYP2C9 (0.50) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL2967568 0.78 CA1 (0.40) ALDH1A1TDP1TSHRCA2HSD11B1
Propionic Acid SCHEMBL28419513 0.77 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2ATM
Methyl Alcohol SCHEMBL28457865 0.77 ALDH1A1 (0.65) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL29355273 0.77 ALDH1A1 (0.63) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL580584 0.77 ALDH1A1 (0.63) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL10448955 0.77 GABRA1 (0.45) ALDH1A1HSD11B1GABRA1GABRB2MAPT

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