SCHEMBL29955933

SCHEMBL29955933

Nc1cc(OC2CC2)ccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.40
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAP4K4 O95819 1/20 0.35
KCNH2 Q12809 3/20 0.35
TRIM24 O15164 1/20 0.35
TYR P14679 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
ROCK1 Q13464 2/20 0.35
POLB P06746 1/20 0.35
HDAC4 P56524 2/20 0.34
EP300 Q09472 2/20 0.34
MEF2D Q14814 2/20 0.34
SRC P12931 2/20 0.34
CHEK2 O96017 1/20 0.34
ACSL1 P33121 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL29955108 0.79 PARP10 (0.37) PARP10PTPN1ALDH1A1HPGDMAP4K4
SCHEMBL29951453 0.78 PARP10 (0.50) PARP10MAP4K4KCNH2SRCCHEK2
SCHEMBL29952250 0.76 POLB (0.40) PARP10PTPN1ALDH1A1HPGDMAP4K4
SCHEMBL29953376 0.76 POLB (0.40) PARP10ALDH1A1MAP4K4POLB
SCHEMBL29952874 0.76 PARP10 (0.37) PARP10PTPN1HPGDMAP4K4ROCK1
SCHEMBL29952862 0.76 MAOB (0.44) PARP10ALDH1A1ACSL1ABL1
SCHEMBL29954871 0.76 PTPN1 (0.38) PARP10PTPN1ALDH1A1HPGDTRIM24
SCHEMBL29955096 0.74 PARP10 (0.50) PARP10MAP4K4KCNH2CHEK2ABL1
SCHEMBL1571550 0.74 ALDH1A1 (0.63) ALDH1A1TRIM24TYRTRIM33
SCHEMBL18812296 0.74 ALDH1A1 (0.53) ALDH1A1

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