SCHEMBL29954086

SCHEMBL29954086

CN(C/C=C/C=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PPARG P37231 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
TRPA1 O75762 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK1 P28482 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
GRM5 P41594 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL5705375 0.81 PPARG (0.39) CA12CA2CA9PPARGMEN1
SCHEMBL22968467 0.80 HTR7 (0.38) PPARGMEN1KMT2ATAAR1ALDH1A1
SCHEMBL3928290 0.79 CA12 (0.47) CA12CA2CA9PPARGMEN1
SCHEMBL22485581 0.78 PPARG (0.41) CA12CA2CA9PPARGMEN1
Hydrochloric Acid SCHEMBL31374865 0.77 CRHBP (0.38) CA12CA2CA9PPARGMEN1
SCHEMBL1932540 0.74 PPARG (0.56) PPARGMEN1KMT2AHTTLMNA
SCHEMBL1932539 0.74 PPARG (0.56) PPARGMEN1KMT2AHTTLMNA
SCHEMBL9195863 0.73 CA12 (0.44) CA12CA2CA9PPARGMEN1
SCHEMBL1257194 0.71 CA12 (0.42) CA12CA2CA9PPARGMEN1
SCHEMBL7194828 0.71 CA12 (0.43) CA12CA2CA9PPARGMEN1

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