SCHEMBL801089

SCHEMBL801089

COc1cc(C)c(-c2cc(C)cc(OC)c2O)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.45
TNKS2 Q9H2K2 2/20 0.40
MAOA P21397 3/20 0.40
PTPN1 P18031 1/20 0.40
ACHE P22303 2/20 0.39
TNKS O95271 1/20 0.39
PTGS2 P35354 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 2/20 0.38
ALDH1A1 P00352 1/20 0.38
APEX1 P27695 1/20 0.38
MPI P34949 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.38
MAOB P27338 1/20 0.36
TUBB1 Q9H4B7 2/20 0.36
G6PD P11413 1/20 0.36

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
SCHEMBL18525393 0.88 ERN1 (0.46) ERN1TNKS2PTPN1ACHETNKS
SCHEMBL7520392 0.85 ERN1 (0.57) ERN1TNKS2PTPN1ACHETNKS
SCHEMBL785414 0.83 PDE4A (0.38) ERN1TNKS2MAOAPTPN1ACHE
SCHEMBL16024748 0.82 ERN1 (0.50) ERN1TNKS2PTPN1ACHETNKS
SCHEMBL16024745 0.81 ERN1 (0.46) ERN1TNKS2PTPN1ACHETNKS
SCHEMBL16015052 0.78 ESR2 (0.47) ERN1TNKS2PTPN1ACHEPTGS2
SCHEMBL16015010 0.77 ACHE (0.48) ERN1TNKS2PTPN1ACHETNKS
SCHEMBL16014627 0.77 ACHE (0.48) ERN1TNKS2ACHETNKSGAA
SCHEMBL18523531 0.77 PTPN1 (0.44) ERN1TNKS2PTPN1PTGS2KDM4E
SCHEMBL16091526 0.77 ACHE (0.59) ERN1TNKS2PTPN1ACHETNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8747645-B2 Process for preparing unsymmetrical biaryl alcohols BASF SE (DE) 2014-06-10 US disclosed
US-20120067736-A1 PROCESS FOR PREPARING UNSYMMETRICAL BIARYL ALCOHOLS BASF SE (DE) 2012-03-22 US disclosed
WO-2010139687-A1 METHOD FOR PREPARING UNSYMMETRICAL BIARYL ALCOHOLS BASF SE (DE) 2010-12-09 WO disclosed