SCHEMBL29953714

SCHEMBL29953714

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 6/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 4/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
PKM P14618 1/20 0.43
TRPM4 Q8TD43 1/20 0.43
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 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
SCHEMBL15332505 0.85 SMN1; SMN2 (0.51) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL2553829 0.84 SMN1; SMN2 (0.50) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL2560123 0.82 SMN1; SMN2 (0.48) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL15331541 0.82 SMN1; SMN2 (0.72) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL29952101 0.81 ALDH1A1 (0.43) SMN1; SMN2LMNATSHRALDH1A1GAA
SCHEMBL1332620 0.81 TSHR (0.48) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL2558957 0.81 SMN1; SMN2 (0.56) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL2553758 0.81 LMNA (0.51) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL3936165 0.81 TSHR (0.66) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL15332582 0.81 TSHR (0.66) SMN1; SMN2LMNATSHRMAPK1ALDH1A1

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