SCHEMBL6156345

SCHEMBL6156345

CCOCOc1cc(C=O)cc(OCOCC)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
ESR1 P03372 2/20 0.39
AHR P35869 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.36
PTPN1 P18031 1/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NQO1 P15559 1/20 0.33

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
SCHEMBL6156178 0.85 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL273282 0.84 ALDH1A1 (0.47) ALDH1A1ESR1AHRLMNASMN1; SMN2
SCHEMBL8751920 0.83 NQO1 (0.46) ALDH1A1ESR1AHRSMN1; SMN2KDM4E
SCHEMBL1262690 0.82 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL30833931 0.82 MAOA (0.55) ALDH1A1SMN1; SMN2KDM4EMAOAMAOB
SCHEMBL8111540 0.82 MAOA (0.55) ALDH1A1SMN1; SMN2KDM4EMAOAMAOB
SCHEMBL6154744 0.81 ESR1 (0.39) ESR1AHRPTPN1NQO1
SCHEMBL1486859 0.80 NPC1 (0.39) ALDH1A1ESR1AHRLMNASMN1; SMN2
SCHEMBL6156181 0.80 BCHE (0.32)
SCHEMBL5883815 0.79 ALDH1A1 (0.47) ALDH1A1ESR1AHRLMNASMN1; 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 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