SCHEMBL7770800

SCHEMBL7770800

CC(=O)c1cccc(CCc2ccc(COC(=O)c3ccc(CCc4cccc(C5(C)OCCO5)c4)cc3C(=O)O)c(CO)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 3/20 0.32
ALOX5 P09917 1/20 0.32
CYP4F2 P78329 3/20 0.31
CYP4A11 Q02928 3/20 0.31
TSHR P16473 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK10 P53779 1/20 0.31
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 2/20 0.31
TP53 P04637 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7770797 0.93 ALDH1A1 (0.33) ALDH1A1MRGPRX4MAOBKDM4EMAPK1
SCHEMBL7770806 0.90 VDR (0.36) ALDH1A1MRGPRX4MAOBRAB9AALOX5
SCHEMBL6155690 0.79 LCK (0.38) ALDH1A1TSHR
SCHEMBL7770803 0.79 ALDH1A1 (0.34) ALDH1A1MRGPRX4MAOBLMNAL3MBTL1
SCHEMBL6157330 0.70 VDR (0.50) MAOBLMNACYP4F2CYP4A11VDR
SCHEMBL6155882 0.69 MAOB (0.46) MRGPRX4MAOBRAB9AALOX5L3MBTL1
SCHEMBL7508753 0.68 ALDH1A1 (0.45) ALDH1A1KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL3283097 0.67 KAT8 (0.39)
SCHEMBL27974805 0.66 ALDH1A1 (0.37) ALDH1A1MAPK1ALOX5TSHRL3MBTL1
SCHEMBL6154870 0.66 ALOX5 (0.44) MAOBALOX5VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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