SCHEMBL16720189

SCHEMBL16720189

Oc1cc(Cl)cc(-c2[c]cccc2O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.37
KDM1A O60341 2/20 0.36
TSHR P16473 1/20 0.35
NQO1 P15559 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
HCAR1 Q9BXC0 1/20 0.32
ESR2 Q92731 1/20 0.31
PIK3CA P42336 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
CA12 O43570 1/20 0.30
GMNN O75496 1/20 0.30
ALDH1A1 P00352 1/20 0.30
EGFR P00533 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
FYN P06241 1/20 0.30
POLB P06746 1/20 0.30
CA3 P07451 1/20 0.30

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
SCHEMBL16719996 0.83 ALOX5 (0.35) ALOX5CNR1CNR2
SCHEMBL16719910 0.81 ALOX5 (0.55) ALOX5TSHRESR2PIK3CANPC1
SCHEMBL16719521 0.79 HSD17B1 (0.40) KDM1ACNR1CNR2HCAR1ESR2
SCHEMBL16720201 0.78 ALOX5 (0.45) ALOX5TSHRPIK3CAKDM4ENPC1
SCHEMBL9987901 0.77 HSD17B1 (0.48) ESR2CA12ALDH1A1CA2LMNA
SCHEMBL16719899 0.76 ABL1 (0.42) ALOX5KDM4ENPC1ALDH1A1LMNA
SCHEMBL16720053 0.74 TSHR (0.45) ALOX5TSHRPIK3CAKDM4ENPC1
SCHEMBL16719770 0.74 ESR2 (0.52) ALOX5TSHRESR2ALDH1A1CA2
SCHEMBL16719695 0.74 HSD17B1 (0.42) PIK3CAKDM4ENPC1CA12GMNN
SCHEMBL9987990 0.74 ESR1 (0.42) ALOX5ESR2PIK3CAKDM4ENPC1

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
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed