SCHEMBL453627

SCHEMBL453627

CN(c1ccco1)c1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
MAPT P10636 4/20 0.53
POLB P06746 4/20 0.53
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 6/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.39
HPGD P15428 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
GLA P06280 2/20 0.38
ESR1 P03372 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
PTPN1 P18031 2/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL18158039 0.80 ALDH1A1 (0.56) KDM4EMAPTPOLBTDP1ALDH1A1
SCHEMBL4249310 0.75 ALDH1A1 (0.50) KDM4EMAPTPOLBTDP1ALDH1A1
SCHEMBL18906022 0.75 MAPT (0.58) KDM4EMAPTPOLBTDP1ALDH1A1
SCHEMBL9768097 0.75 KDM4E (0.48) KDM4EMAPTPOLBTDP1ALDH1A1
SCHEMBL14342240 0.73 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2TP53KMT2A
SCHEMBL15240 0.73 ALDH1A1 (0.72) KDM4EMAPTPOLBTDP1ALDH1A1
SCHEMBL29698615 0.73 MYC (0.49) KDM4EMAPTPOLBTDP1ALDH1A1
Phthalic Acid SCHEMBL25407447 0.71 ALDH1A1 (0.69) KDM4EMAPTPOLBTDP1ALDH1A1
Water SCHEMBL11574791 0.71 ALDH1A1 (0.69) KDM4EMAPTPOLBTDP1ALDH1A1
Hydrochloric Acid SCHEMBL4523562 0.71 ALDH1A1 (0.41) MAPTTDP1ALDH1A1GAASMN1; SMN2

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-20150328329-A1 LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM American University of Cairo (EG) 2015-11-19 US disclosed
WO-2014081856-A2 LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM AZZAZY HASSAN (EG) 2014-05-30 WO disclosed
WO-2012033878-A2 COMPOUNDS AND METHODS FOR ACEMIF INHIBITION AND THE TREATMENT OF PARASITES YALE UNIVERSITY (US) 2012-03-15 WO disclosed