SCHEMBL8089680

SCHEMBL8089680

CC(=CC(=O)O)C(=O)O.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
AKR1C3 P42330 1/20 0.37
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
FFAR3 O14843 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL27546854 1.00 HTT (0.43) HTTKMT2AKDM4EMAPTPOLB
SCHEMBL8089673 1.00 HTT (0.43) HTTKMT2AKDM4EMAPTPOLB
SCHEMBL27531633 0.97 HTT (0.45) HTTKMT2AKDM4EMAPTPOLB
SCHEMBL5893 0.97
SCHEMBL6040109 0.97 HTT (0.45) HTTKMT2AKDM4EMAPTPOLB
SCHEMBL623803 0.97 HTT (0.45) HTTKMT2AKDM4EMAPTPOLB
SCHEMBL28517 0.97
SCHEMBL5894 0.97
SCHEMBL623108 0.97 HTT (0.45) HTTKMT2AKDM4EMAPTPOLB
Ammonia Solution, Strong SCHEMBL16423856 0.94 HTT (0.43) HTTKMT2AKDM4EMAPTPOLB

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
US-6136554-A RAPID AND COST EFFECTIVE METHOD BY INOCULATING NUTRIENT CULTURE CONTAINING CONCENTRATION OF PROPIONIC ACID AND/OR ITS SALTS WHICH INHIBIT OTHER BACTERIA AND CHROMOGENIC COMPOUNDS, INCUBATING, DETECTING COLORED COLONIES; ESCHERICHIA BIOLOG, INC. (US) 2000-10-24 US disclosed
WO-1996040861-A1 MICROBIOLOGICAL MEDIA FOR ISOLATION AND IDENTIFICATION OF ENTERIC PATHOGENS SUCH AS E. COLI AND SALMONELLA BIOLOG, INC. (US) 1996-12-19 WO disclosed