SCHEMBL29953603

SCHEMBL29953603

O=Cc1cccc2ccc3cccc(C(=O)O)c3c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 2/20 0.40
ALOX15 P16050 1/20 0.40
CDC25B P30305 1/20 0.40
KEAP1 Q14145 1/20 0.40
POLB P06746 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
PTPN1 P18031 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL1688876 0.93 HSD17B10 (0.60) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL29563927 0.93 HSD17B10 (0.60) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL2834703 0.84 HSD17B10 (0.75) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL7598992 0.83 HSD17B10 (0.46) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL3299164 0.83 KMT2A (0.45) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
Ammonia Solution, Strong SCHEMBL31590375 0.82 HSD17B10 (0.72) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
Ammonia Solution, Strong SCHEMBL31590816 0.82 HSD17B10 (0.72) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
Hydrochloric Acid SCHEMBL4607898 0.82 HSD17B10 (0.72) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL4944634 0.82 THRB (0.52) HSD17B10ALDH1A1MEN1KMT2ATSHR
SCHEMBL3293879 0.80 ALDH1A1 (0.44) HSD17B10ALDH1A1MEN1KMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed