SCHEMBL29952874

SCHEMBL29952874

NCc1ccc(OC2CC2)cc1C=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.37
POLB P06746 1/20 0.35
PTPN1 P18031 1/20 0.35
ROCK1 Q13464 2/20 0.34
MAP4K4 O95819 1/20 0.33
ACSL1 P33121 4/20 0.33
HRH1 P35367 2/20 0.33
ERN1 O75460 1/20 0.33
FFAR4 Q5NUL3 3/20 0.32
ACSL3 O95573 1/20 0.32
ACSL6 Q9UKU0 1/20 0.32
HPGD P15428 1/20 0.32

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 0.88 PARP10 (0.37) PARP10POLBPTPN1ROCK1MAP4K4
SCHEMBL8233665 0.77 ERN1 (0.56) ERN1
SCHEMBL29955933 0.76 PARP10 (0.40) PARP10POLBPTPN1ROCK1MAP4K4
SCHEMBL29955096 0.74 PARP10 (0.50) PARP10MAP4K4ERN1
SCHEMBL29954396 0.73 POLB (0.36) POLBMAP4K4
SCHEMBL29956935 0.72 MAOB (0.44) PARP10ACSL1HRH1FFAR4ACSL3
SCHEMBL29950762 0.72 ERN1 (0.36) PARP10POLBPTPN1ERN1
SCHEMBL29957323 0.72 CA1 (0.36) POLBHRH1ERN1HPGD
SCHEMBL29957857 0.72 ALDH1A1 (0.40) POLBHPGD
SCHEMBL29951453 0.71 PARP10 (0.50) PARP10MAP4K4ACSL1

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