SCHEMBL5490662

SCHEMBL5490662

CC(C)(C)OOCc1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.54
RXRB P28702 10/20 0.54
NR4A2 P43354 4/20 0.54
ALDH1A1 P00352 2/20 0.51
RXRG P48443 5/20 0.51
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL3873725 0.81 RXRA (0.57) RXRARXRBNR4A2ALDH1A1RXRG
Terephthalic Acid SCHEMBL6281522 0.80 TSHR (0.60) RXRARXRBALDH1A1RXRGSMN1; SMN2
SCHEMBL465273 0.80 MRGPRX4 (0.55) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL375008 0.77 TSHR (0.48) ALDH1A1
SCHEMBL566413 0.75 NPC1 (0.62) RXRARXRBNR4A2ALDH1A1RXRG
SCHEMBL11639552 0.75 AGXT (0.50) NPC1RAB9ASMN1; SMN2
SCHEMBL15619107 0.75 RXRA (0.50) RXRARXRBNR4A2ALDH1A1RXRG
SCHEMBL9439348 0.74 ALDH1A1 (0.69) RXRARXRBNR4A2ALDH1A1RXRG
SCHEMBL9366623 0.74 ALDH1A1 (0.68) RXRARXRBNR4A2ALDH1A1RXRG
SCHEMBL25946864 0.74 RXRA (0.53) RXRARXRBNR4A2ALDH1A1RXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985000-B1 CROSS-LINKING COMPOSITIONS AKZO NOBEL NV (NL) 2007-08-22 EP disclosed
US-6610768-B1 Softening agent for improving blending of the peroxide in a thermoplastic resin or elastomer; excellent storage stability, without exudation of peroxide; crosslinking of EPM and/or EPDM AKZO NOBEL N. V. (NL) 2003-08-26 US disclosed
EP-0985000-A1 CROSS-LINKING COMPOSITIONS Akzo Nobel N.V. (NL) 2000-03-15 EP disclosed
WO-1998054249-A1 CROSS-LINKING COMPOSITIONS AKZO NOBEL N.V. (NL) 1998-12-03 WO disclosed