SCHEMBL6884474

SCHEMBL6884474

CC(=O)c1cccc(NCCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL6157330 0.82 VDR (0.50) LMNA
SCHEMBL6884477 0.79 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL6885032 0.77 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL4169798 0.77 VDR (0.40) KMT2AMEN1MAPT
SCHEMBL4169791 0.77 VDR (0.40) KMT2AMEN1MAPT
SCHEMBL11108977 0.76 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL11735992 0.75 HPGD (0.59) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL30839637 0.73 PPARA (0.52) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL11115690 0.73 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL8285571 0.72 KMT2A (0.59) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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-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