SCHEMBL5862945

SCHEMBL5862945

CC(C=O)Cc1ccc(O)c(C=Cc2ccccc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
PTPN1 P18031 1/20 0.39
HNF4A P41235 1/20 0.39
TTR P02766 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ELANE P08246 1/20 0.35
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CAPN1 P07384 1/20 0.33
CHAT P28329 1/20 0.33
APP P05067 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5862938 0.77 AHR (0.40) AHRPTPN1HNF4ATTRALOX5
SCHEMBL3272345 0.74 TSHR (0.45) ELANEMAPK1
SCHEMBL1829639 0.72 TP53 (0.37) TTRALOX5PTGS2ELANETRPA1
SCHEMBL1829702 0.72 TP53 (0.37) TTRALOX5PTGS2ELANETRPA1
SCHEMBL18109192 0.72 TRPA1 (0.52) AHRPTPN1HNF4ATTRALOX5
SCHEMBL3669755 0.71 CHAT (0.44) AHRPTPN1HNF4ATTRALOX5
SCHEMBL5390530 0.70 TRPA1 (0.47) PTPN1HNF4ATTRALOX5PTGS1
SCHEMBL20488356 0.70 ALOX5 (0.56) AHRPTPN1HNF4ATTRALOX5
SCHEMBL11351486 0.69 GABRA1 (0.39) ELANECYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL1829987 0.69 TP53 (0.37) ELANE

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