SCHEMBL29956858

SCHEMBL29956858

COc1ccc(C=O)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.49
TYR P14679 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
ALDH1A1 P00352 7/20 0.46
ERN1 O75460 1/20 0.45
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
F10 P00742 1/20 0.41
NR1I2 O75469 1/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
BRAF P15056 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
SCHEMBL29954247 0.89 ERN1 (0.49) TRIM24TYRTRIM33ALDH1A1ERN1
SCHEMBL27060303 0.85 KCNQ3 (0.43) ALDH1A1NPC1RAB9AGAALMNA
SCHEMBL29950861 0.84 HPGD (0.46) HPGDLMNAPOLBKMT2ANPSR1
SCHEMBL6162530 0.83 CA12 (0.38) KDM4EHPGDGAAMAPTBRAF
SCHEMBL17084899 0.83 TRIM24 (0.51) TRIM24TYRTRIM33ALDH1A1ERN1
SCHEMBL30981444 0.83 TRIM24 (0.51) TRIM24TYRTRIM33ALDH1A1ERN1
SCHEMBL29951652 0.82 KCNQ4 (0.43) RAB9AMAPTLMNAPOLBBRAF
SCHEMBL29950591 0.82 HSP90AA1 (0.43) ALDH1A1ERN1KDM4EGAAMAPT
SCHEMBL29407156 0.82 RAB9A (0.45) ERN1NPC1RAB9ASMN1; SMN2
SCHEMBL27969573 0.82 KDM4E (0.49) ALDH1A1KDM4EHPGDF10GAA

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