SCHEMBL6158543

SCHEMBL6158543

CC(=O)c1cccc(N(C)Cc2ccc(C(O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.47
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MEN1 O00255 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PYCR1 P32322 1/20 0.38
MAOB P27338 4/20 0.37

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
SCHEMBL6155897 0.78 PPARA (0.45) PPARAKMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL6157345 0.76 MAOB (0.43) KMT2AALDH1A1MEN1MAPTMAOB
SCHEMBL2781564 0.75 PPARA (0.35) PPARAKMT2AL3MBTL1
SCHEMBL10687046 0.73 PPARA (0.62) PPARAKMT2AL3MBTL1ALDH1A1RXRA
SCHEMBL10690742 0.72 PPARA (0.61) PPARAKMT2AL3MBTL1ALDH1A1RXRA
SCHEMBL3689203 0.72 MTNR1A (0.43) KMT2AL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL22658227 0.71 CRHBP (0.68) KMT2AL3MBTL1ALDH1A1MEN1TSHR
SCHEMBL334924 0.70 KDM4E (0.56) KMT2AL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL10442102 0.70 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL6155995 0.70 PPARA (0.41) PPARAKMT2AL3MBTL1ALDH1A1KDM4E

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
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed