SCHEMBL6884477

SCHEMBL6884477

CC(=O)c1cccc(NCCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43
PTGDR Q13258 1/20 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
SCHEMBL6157345 0.80 MAOB (0.43) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6884474 0.79 KMT2A (0.52) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL30839637 0.76 PPARA (0.52) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL4169795 0.76 KMT2A (0.34) KMT2AMEN1MAPTLMNA
SCHEMBL11735992 0.75 HPGD (0.59) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL27536284 0.75 HPGD (0.53) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL11115690 0.73 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL11108977 0.73 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8285571 0.72 KMT2A (0.59) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL11113486 0.72 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1LMNA

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