SCHEMBL29956946

SCHEMBL29956946

CCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.46
TSHR P16473 2/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
TRPM4 Q8TD43 1/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL2553829 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDTSHRHTR2A
SCHEMBL15331541 0.85 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1HPGDTSHRHTR2A
SCHEMBL15332505 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDTSHRHTR2A
SCHEMBL15331689 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL29955936 0.82 PTGDR2 (0.42) SMN1; SMN2ALDH1A1HPGDKDM4EGAA
SCHEMBL3936165 0.82 TSHR (0.66) SMN1; SMN2ALDH1A1HPGDTSHRHTR2A
SCHEMBL15332582 0.82 TSHR (0.66) SMN1; SMN2ALDH1A1HPGDTSHRHTR2A
SCHEMBL2558957 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HPGDTSHRHTR2A
SCHEMBL29955443 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL29956422 0.81 KDM4E (0.58) SMN1; SMN2ALDH1A1HPGDKDM4EGAA

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