SCHEMBL7698397

SCHEMBL7698397

OCc1ccc[c]c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.38
DPP4 P27487 1/20 0.36
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
NOTUM Q6P988 5/20 0.34
HPGD P15428 4/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL16719950 0.83 PRKCI (0.40) PDCD1CD274APOBEC3GKMT2ANOTUM
SCHEMBL16720242 0.80 HSD17B1 (0.42) PDCD1CD274LMNAALDH1A1HSD17B10
SCHEMBL28033647 0.80 DPP4 (0.50) DPP4NOTUMALDH1A1KDM4E
SCHEMBL7703138 0.80 ALDH1A1 (0.34) DPP4TSHRALDH1A1
SCHEMBL982140 0.80 GABRA1 (0.35) PDCD1CD274DPP4KMT2AHPGD
SCHEMBL16720445 0.79 ESR2 (0.40) PDCD1CD274NOTUMKDM4E
SCHEMBL5796035 0.78 HTR2A (0.41) KMT2ATSHRHPGDALDH1A1HSD17B10
SCHEMBL8562892 0.77 HTR1A (0.41) HPGDL3MBTL1ALDH1A1HSD17B10
SCHEMBL983255 0.77 SREBF2 (0.33) PDCD1CD274DPP4HPGDGAA
SCHEMBL9777373 0.76 IDO1 (0.41) DPP4TSHRLMNAGAAALDH1A1

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
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
EP-1216285-A1 FLUORESCENT MALEIMIDES AND USES THEREOF Ciba SC Holding AG (CH) 2002-06-26 EP disclosed
WO-2001019939-A1 FLUORESCENT MALEIMIDES AND USES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-22 WO disclosed