SCHEMBL5862938

SCHEMBL5862938

CC(C=O)Cc1c(C=O)cc(O)c(C=Cc2ccccc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
TTR P02766 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PTPN1 P18031 2/20 0.36
HNF4A P41235 1/20 0.36
TRPA1 O75762 1/20 0.35
CAPN1 P07384 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
TYR P14679 1/20 0.32
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5862945 0.77 AHR (0.40) AHRTTRALOX5PTGS1PTGS2
SCHEMBL5863000 0.77 TTR (0.37) AHRTTRALOX5PTGS1PTGS2
SCHEMBL5390530 0.70 TRPA1 (0.47) TTRALOX5PTGS1PTGS2PTPN1
SCHEMBL5861225 0.66 TP53 (0.42) TYRTRIM24TRIM33ALDH1A1CYP3A4
SCHEMBL11292369 0.65 TRPA1 (0.58) TTRPTPN1HNF4ATRPA1TRIM24
SCHEMBL3272345 0.64 TSHR (0.45) MAPK1
SCHEMBL5680920 0.64 TRPA1 (0.57) AHRTTRALOX5PTGS1PTGS2
SCHEMBL5680917 0.64 TRPA1 (0.57) AHRTTRALOX5PTGS1PTGS2
SCHEMBL29390529 0.63 TRPA1 (0.54) AHRTTRALOX5PTGS1PTGS2
SCHEMBL13825817 0.63 PTPN1 (0.54) AHRTTRPTPN1HNF4ATRPA1

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
US-7074861-B2 Modified resorcinol resins and applications thereof INDSPEC CHEMICAL CORPORATION (US) 2006-07-11 US disclosed
EP-1597293-A1 MODIFIED RESORCINOL RESINS AND APPLICATIONS THEREOF INDSPEC CHEMICAL CORPORATION (US) 2005-11-23 EP disclosed
WO-2004074340-A1 MODIFIED RESORCINOL RESINS AND APPLICATIONS THEREOF INDSPEC CHEMICAL CORPORATION (US) 2004-09-02 WO disclosed
US-20040162391-A1 Modified resorcinol resins and applications thereof INDSPEC CHEMICAL CORPORATION (US) 2004-08-19 US disclosed