SCHEMBL6154994

SCHEMBL6154994

CC/C(=C/CCC(=O)O)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
OGG1 O15527 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL6154989 1.00 TBXAS1 (0.48) TBXAS1LMNAALDH1A1MAPTGAA
SCHEMBL6154999 1.00 TBXAS1 (0.48) TBXAS1LMNAALDH1A1MAPTGAA
SCHEMBL6879053 0.84 TBXAS1 (0.49) TBXAS1LMNAALDH1A1MAPTGAA
SCHEMBL6879049 0.84 TBXAS1 (0.49) TBXAS1LMNAALDH1A1MAPTGAA
SCHEMBL6879045 0.84 TBXAS1 (0.49) TBXAS1LMNAALDH1A1MAPTGAA
SCHEMBL6564657 0.78 POLB (0.50) TBXAS1LMNAALDH1A1MAPTGAA
SCHEMBL6564653 0.78 POLB (0.50) TBXAS1LMNAALDH1A1MAPTGAA
SCHEMBL6564650 0.78 POLB (0.50) TBXAS1LMNAALDH1A1MAPTGAA
SCHEMBL6155093 0.75 ALDH1A1 (0.37) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL6155088 0.75 ALDH1A1 (0.37) LMNAALDH1A1MAPTGAAKDM4E

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 4 patents. 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
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