SCHEMBL11020169

SCHEMBL11020169

CC(=O)C(=CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 5/20 0.36
POLB P06746 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 4/20 0.35
ATM Q13315 1/20 0.34
THPO P40225 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
GLA P06280 1/20 0.32
GLO1 Q04760 1/20 0.31
EP300 Q09472 1/20 0.30
TP53 P04637 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL11020165 1.00 HTT (0.42) HTTKMT2AKDM4EPOLBTDP1
SCHEMBL29287334 0.97 HTT (0.41) HTTKMT2AKDM4EPOLBTDP1
SCHEMBL28478051 0.97 HTT (0.41) HTTKMT2AKDM4EPOLBTDP1
Hydrochloric Acid SCHEMBL28376973 0.95 HTT (0.39) HTTKMT2AKDM4EPOLBTDP1
Hydrochloric Acid SCHEMBL28376971 0.95 HTT (0.39) HTTKMT2AKDM4EPOLBTDP1
SCHEMBL10631395 0.82 ALDH1A1 (0.33) HTTKDM4EPOLBTDP1L3MBTL1
SCHEMBL10631398 0.82 ALDH1A1 (0.33) HTTKDM4EPOLBTDP1L3MBTL1
SCHEMBL269971 0.81 TSHR (0.41) HTTKMT2AKDM4EPOLBTDP1
SCHEMBL17138384 0.81 TSHR (0.41) HTTKMT2AKDM4EPOLBTDP1
SCHEMBL28636819 0.78 HTT (0.39) HTTKMT2AKDM4EPOLBTDP1

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
EP-0164778-A1 Detergent powder compositions containing sodium perborate monohydrate UNILEVER N.V. (NL) 1985-12-18 EP disclosed