SCHEMBL6155897

SCHEMBL6155897

CC(=O)c1cccc(N(C)Cc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.45
PKM P14618 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.38
MAOB P27338 5/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
MAOA P21397 2/20 0.36
FFAR1 O14842 1/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL7778248 0.80 FFAR1 (0.36) PPARAKMT2AL3MBTL1MAOBRXRA
SCHEMBL6158543 0.78 PPARA (0.47) PPARAALDH1A1MAPTTSHRKDM4E
SCHEMBL6157330 0.77 VDR (0.50) PKMMAOBMAOA
SCHEMBL6155990 0.77 PPARA (0.42) PPARAALDH1A1MAPTTSHRKDM4E
SCHEMBL2781568 0.77 VDR (0.36) PPARA
SCHEMBL2781559 0.77 VDR (0.36) PPARA
SCHEMBL6155995 0.73 PPARA (0.41) PPARAALDH1A1MAPTTSHRKDM4E
SCHEMBL3689203 0.72 MTNR1A (0.43) PKMALDH1A1MAPTTSHRKDM4E
SCHEMBL18073734 0.72 PKM (0.71) PKMALDH1A1MAPTHPGDKMT2A
SCHEMBL10687046 0.70 PPARA (0.62) PPARAALDH1A1KMT2AL3MBTL1RXRA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589031-A2 Production of polyketides and other natural products Biotica Technology Limited (GB) 2005-10-26 EP claimed
EP-1589031-A2 Production of polyketides and other natural products Biotica Technology Limited (GB) 2005-10-26 EP disclosed
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed