SCHEMBL29954871

SCHEMBL29954871

CNc1cc(OC2CC2)ccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
POLB P06746 1/20 0.35
PGR P06401 1/20 0.34
PARP10 Q53GL7 1/20 0.34
HPGD P15428 1/20 0.34
ACSL1 P33121 1/20 0.34
ACACB O00763 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABL1 P00519 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CSF1R P07333 1/20 0.33
HRH1 P35367 1/20 0.33
CYP2D6 P10635 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL29950762 0.88 ERN1 (0.36) PTPN1ALDH1A1POLBPGRPARP10
SCHEMBL29957772 0.77 KAT2B (0.43) ALDH1A1TRIM24TYRTRIM33PARP10
SCHEMBL29955933 0.76 PARP10 (0.40) PTPN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL29954655 0.75 CA1 (0.39) ALDH1A1POLB
SCHEMBL29953745 0.74 KAT2B (0.43) PARP10ABL1HRH3
SCHEMBL29955813 0.73 CSF1R (0.36) PTPN1POLBACACBABL1CSF1R
SCHEMBL1466054 0.73 SMN1; SMN2 (0.52) ALDH1A1PARP10
SCHEMBL29952862 0.72 MAOB (0.44) ALDH1A1PARP10ACSL1ABL1HRH1
SCHEMBL29955108 0.72 PARP10 (0.37) PTPN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL29957763 0.72 POLB (0.41) ALDH1A1POLBACACBNPSR1CYP2D6

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