SCHEMBL16196318

SCHEMBL16196318

COc1cccc(O)c1OO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.68
MAPT P10636 2/20 0.68
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
LMNA P02545 1/20 0.68
CYP3A4 P08684 1/20 0.68
HPGD P15428 1/20 0.68
ALOX15 P16050 1/20 0.68
ALOX12 P18054 1/20 0.68
MAPK1 P28482 1/20 0.68
HSD17B10 Q99714 1/20 0.68
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TLR2 O60603 1/20 0.46
ERN1 O75460 1/20 0.46
TLR1 Q15399 1/20 0.46

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
SCHEMBL186826 0.86 MAPT (0.67) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL3899924 0.84 MAPT (0.64) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL3889690 0.84 MAPT (0.64) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL3898449 0.84 MAPT (0.64) TP53MAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL22291108 0.84 TP53 (0.64) TP53MAPTKDM4EALDH1A1LMNA
3-Methoxycatechol SCHEMBL29477155 0.81 TP53 (1.00) TP53MAPTKDM4EALDH1A1LMNA
3-Methoxycatechol SCHEMBL67332 0.81 TP53 (1.00) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL15186817 0.81 TP53 (0.59) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL8954581 0.80 CA1 (0.55) TP53MAPTKDM4EALDH1A1LMNA
3-Methoxycatechol SCHEMBL11796213 0.79 TP53 (0.95) TP53MAPTKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9164409-B2 Biophenols for polyester toner resins XEROX CORPORATION (US) 2015-10-20 US disclosed
US-20140322642-A1 Biophenols for Polyester Toner Resins XEROX CORPORATION (US) 2014-10-30 US disclosed