SCHEMBL7598992

SCHEMBL7598992

O=Cc1cccc2cccc(C(=O)c3ccc4cccc(C(=O)O)c4c3C=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CDC25B P30305 1/20 0.40
WDR5 P61964 1/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
CYP1A2 P05177 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
LDHA P00338 1/20 0.34
POLB P06746 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ERN1 O75460 1/20 0.33

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
SCHEMBL3299164 0.86 KMT2A (0.45) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL29563927 0.86 HSD17B10 (0.60) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL1688876 0.86 HSD17B10 (0.60) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL29953603 0.83 HSD17B10 (0.56) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL6629135 0.77 AKR1C3 (0.47) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL547555 0.72 ALDH1A1 (0.46) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL2834703 0.72 HSD17B10 (0.75) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL12942838 0.72 HSD17B10 (0.46) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL548665 0.72 HSD17B10 (0.50) HSD17B10ALDH1A1KMT2AKDM4EMEN1
SCHEMBL3293879 0.72 ALDH1A1 (0.44) HSD17B10ALDH1A1KMT2AKDM4EMEN1

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-1263454-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG Praecis Pharmaceuticals Incorporated (US) 2002-12-11 EP disclosed
WO-2001058470-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG PRAECIS PHARMACEUTICALS INCORPORATED (US) 2001-08-16 WO disclosed