SCHEMBL23865359

SCHEMBL23865359

C[C@@H](C(=O)O)n1cccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
ATM Q13315 1/20 0.42
PTGS2 P35354 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
USP5 P45974 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL11555051 1.00 TRIM24 (0.46) TRIM24TRIM33ATMPTGS2KMT2A
SCHEMBL11879956 0.83 TRIM24 (0.43) TRIM24TRIM33ATMPTGS2KMT2A
SCHEMBL11556583 0.81 ATM (0.44) TRIM24TRIM33ATMPTGS2SMN1; SMN2
SCHEMBL15331853 0.79 BCL2 (0.40) TRIM24TRIM33ATMPTGS2KMT2A
SCHEMBL11876578 0.79 BCL2 (0.40) TRIM24TRIM33ATMPTGS2KMT2A
SCHEMBL10505467 0.79 TRIM24 (0.54) TRIM24TRIM33ATMPTGS2KMT2A
SCHEMBL11880901 0.78 TRIM24 (0.42) TRIM24TRIM33ATMPTGS2SMN1; SMN2
SCHEMBL11871896 0.78 TRIM24 (0.39) TRIM24TRIM33ATMPTGS2KMT2A
SCHEMBL28276234 0.76 ALDH1A1 (0.46) PTGS2KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL11554293 0.75 ATM (0.39) TRIM24TRIM33ATMPTGS2ALDH1A1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3885437-A1 DNA-ENCODED CHEMICAL LIBRARY, USE THEREOF, AND METHOD TO SYNTHESIZE THE LIBRARY Technische Universität Dortmund (DE) 2021-09-29 EP disclosed