SCHEMBL890469

SCHEMBL890469

COc1cc(OC)c(-c2cc(C)cc(OC)c2O)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.46
ELANE P08246 3/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.44
PTPN1 P18031 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
ACHE P22303 1/20 0.41
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7520392 0.82 ERN1 (0.57) ERN1ALDH1A1KDM4EMAPTLMNA
SCHEMBL18523538 0.79 ERN1 (0.51) ERN1ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL8007183 0.78 ABL1 (0.53) ERN1ELANEALDH1A1MAPTCYP3A4
SCHEMBL890435 0.76 HDAC4 (0.55) ERN1ELANEALDH1A1KDM4EGLA
SCHEMBL1047550 0.76 ABL1 (0.65) ERN1ALDH1A1MAPTHPGDCYP3A4
SCHEMBL562147 0.76 ERN1 (0.63) ERN1ALDH1A1KDM4EMAPTHPGD
SCHEMBL16024748 0.76 ERN1 (0.50) ERN1ALDH1A1KDM4EMAPTHPGD
SCHEMBL890491 0.75 ACHE (0.50) ERN1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL18523531 0.75 PTPN1 (0.44) ERN1ELANEKDM4EMAPTCYP3A4
SCHEMBL890444 0.74 ERN1 (0.49) ERN1ALDH1A1KDM4EMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8747646-B2 Process for the anodic cross-dehydrodimerization of arenes BASF SE (DE) 2014-06-10 US disclosed
EP-2438214-B1 METHOD FOR ANODIC CROSS-DEHYDRODIMERIZATION OF ARENES BASF SE (DE) 2013-05-29 EP disclosed
EP-2438214-A1 METHOD FOR ANODIC CROSS-DEHYDRODIMERIZATION OF ARENES BASF SE (DE) 2012-04-11 EP disclosed
US-20120080320-A1 PROCESS FOR THE ANODIC CROSS-DEHYDRODIMERIZATION OF ARENES BASF SE (DE) 2012-04-05 US disclosed
WO-2010139685-A1 METHOD FOR ANODIC CROSS-DEHYDRODIMERIZATION OF ARENES BASF SE (DE) 2010-12-09 WO disclosed