SCHEMBL6130125

SCHEMBL6130125

CC(C)(C)c1cc(O)cc(C(C)(C)C)c1-c1c(C(C)(C)C)cc(O)cc1C(C)(C)C.Cc1cc(O)cc(C)c1-c1c(C)cc(O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.45
ALDH1A1 P00352 6/20 0.45
CYP2C9 P11712 5/20 0.45
TYR P14679 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
MIF P14174 1/20 0.45
HTT P42858 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CYP2C19 P33261 4/20 0.43
CYP1A2 P05177 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CA2 P00918 4/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
CYP3A4 P08684 3/20 0.41

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
SCHEMBL11525980 0.93 ALDH1A1 (0.46) ALOX15ALDH1A1CYP2C9TYRHSD17B10
SCHEMBL2862111 0.88 ALDH1A1 (0.54) ALOX15ALDH1A1CYP2C9TYRHSD17B10
SCHEMBL10899771 0.84 ALDH1A1 (0.46) ALOX15ALDH1A1CYP2C9TYRHSD17B10
SCHEMBL476694 0.80 CYP3A4 (0.58) ALOX15ALDH1A1CYP2C9HSD17B10CYP2C19
SCHEMBL10630193 0.79 ALDH1A1 (0.48) ALOX15ALDH1A1CYP2C9TYRHSD17B10
SCHEMBL4982793 0.79 CYP2C9 (0.68) ALOX15ALDH1A1CYP2C9TYRHSD17B10
SCHEMBL20132974 0.79 ALDH1A1 (0.46) ALOX15ALDH1A1CYP2C9TYRHSD17B10
SCHEMBL23387403 0.77 ALOX15 (0.45) ALOX15ALDH1A1CYP2C9TYRHSD17B10
Hydrogen Sulfide SCHEMBL11348298 0.77 CYP2C9 (0.65) ALOX15ALDH1A1CYP2C9TYRHSD17B10
SCHEMBL8415616 0.76 ALOX15 (0.62) ALOX15ALDH1A1CYP2C9TYRHSD17B10

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