SCHEMBL6154797

SCHEMBL6154797

CCOCOc1cc(C=Cc2cccc(C=CCCCO)c2)cc(OCOCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
ESR1 P03372 2/20 0.38
AHR P35869 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCB1 P08183 1/20 0.36
PPARA Q07869 3/20 0.36
PPARG P37231 2/20 0.36
BACE1 P56817 1/20 0.36
RELA Q04206 1/20 0.35
PPARD Q03181 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL6154783 1.00 ABL1 (0.39) ABL1BCRESR1AHRKDM4E
SCHEMBL6155196 0.96 ABL1 (0.38) ABL1BCRESR1AHRKDM4E
SCHEMBL6155185 0.96 ABL1 (0.38) ABL1BCRESR1AHRKDM4E
SCHEMBL6155406 0.87 CHRM2 (0.38) ABL1BCRESR1AHRKDM4E
SCHEMBL6155417 0.87 CHRM2 (0.38) ABL1BCRESR1AHRKDM4E
SCHEMBL6155450 0.86 PPARA (0.45) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6156415 0.86 KDM4E (0.40) ABL1BCRESR1AHRKDM4E
SCHEMBL6155441 0.86 PPARA (0.45) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6156407 0.86 KDM4E (0.40) ABL1BCRESR1AHRKDM4E
SCHEMBL6156397 0.85 PPARA (0.47) ESR1KDM4EALDH1A1SMN1; SMN2PPARA

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