SCHEMBL16720697

SCHEMBL16720697

Oc1ccc[c]c1CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
MPO P05164 2/20 0.40
ALOX15 P16050 2/20 0.39
IGF1R P08069 1/20 0.39
DAO P14920 2/20 0.39
FFAR1 O14842 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
KCNH2 Q12809 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACHE P22303 1/20 0.37
SGMS1 Q86VZ5 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL1551925 0.82 BCL2 (0.45) HPGDALOX15HSD17B10KEAP1
SCHEMBL10422126 0.78 HTR1A (0.43) ALDH1A1HPGDTDP1ALOX15MAOA
SCHEMBL6271210 0.78 TDP1 (0.34) KDM4EALDH1A1HPGDTDP1ALOX15
SCHEMBL715204 0.77 KCNH2 (0.41) KDM4EALDH1A1HPGDTDP1ALOX15
SCHEMBL6753035 0.77 MAOB (0.47) ALDH1A1HPGDTDP1ALOX15MAOA
SCHEMBL9359701 0.76 CNR1 (0.35) KDM4EALDH1A1HPGDTDP1ALOX15
SCHEMBL28157879 0.76 TAAR1 (0.47) KDM4EALDH1A1TDP1ALOX15HSD17B10
SCHEMBL16719748 0.74 CA2 (0.32) CA2
SCHEMBL5150284 0.74 HTT (0.41) ALDH1A1HPGDALOX15FFAR1MAOA
SCHEMBL16719586 0.74 KMT2A (0.47) KDM4EALDH1A1MAOAMAOBACHE

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