SCHEMBL6130117

SCHEMBL6130117

CC(C)(C)c1cc(-c2cc(C(C)(C)C)c(C(=O)O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.59
GLRB P48167 1/20 0.59
CA2 P00918 2/20 0.52
CA1 P00915 1/20 0.52
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RXRB P28702 6/20 0.42
RXRA P19793 5/20 0.42
RXRG P48443 2/20 0.42
RARG P13631 3/20 0.42
RARB P10826 2/20 0.42
RARA P10276 2/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ATP2A2 P16615 1/20 0.39
ATP2A3 Q93084 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
SCHEMBL6466602 0.84 GLRA3 (0.57) GLRA3GLRBCYP1A2CYP2C9CYP2C19
SCHEMBL5696383 0.84 GLRA3 (0.63) GLRA3GLRBCA2CA1CYP1A2
SCHEMBL27417339 0.84 GLRA3 (0.57) GLRA3GLRBCA2CYP1A2CYP2C9
SCHEMBL28419884 0.82 GLRA3 (0.55) GLRA3GLRBCYP1A2CYP2C9CYP2C19
SCHEMBL11606874 0.82 GLRA3 (0.61) GLRA3GLRBCA2CA1CYP1A2
SCHEMBL1596719 0.80 GLRA3 (0.53) GLRA3GLRBCA2CA1CYP1A2
SCHEMBL19164270 0.79 GLRA3 (0.63) GLRA3GLRBCA2CA1CYP1A2
SCHEMBL27685489 0.79 GLRA3 (0.52) GLRA3GLRBCYP1A2CYP2C9CYP2C19
SCHEMBL7854316 0.76 GLRA3 (0.54) GLRA3GLRBCA2CA1RXRB
SCHEMBL11780929 0.76 GLRA3 (0.77) GLRA3GLRBCA2CA1CYP1A2

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-1317497-A4 POLYESTER RESINS WITH IMPROVED PROPERTIES POLYMERS AUSTRALIA PTY LTD (AU) 2005-03-02 EP disclosed
US-20040116619-A1 Polyester resins with improved properties POLYMERS AUSTRALIA PTY LIMITED (AU) 2004-06-17 US disclosed
EP-1317497-A1 POLYESTER RESINS WITH IMPROVED PROPERTIES Polymers Australia PTY Limited (AU) 2003-06-11 EP disclosed
WO-2002022705-A1 POLYESTER RESINS WITH IMPROVED PROPERTIES POLYMERS AUSTRALIA PTY LTD (AU) 2002-03-21 WO disclosed