SCHEMBL6156842

SCHEMBL6156842

CCOCOc1cc(/C=C/c2cccc(/C=C/CCCCC(O)(CC)CC)c2)cc(OCOCC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
ESR1 P03372 2/20 0.34
AHR P35869 2/20 0.34
PPARA Q07869 7/20 0.33
PPARG P37231 4/20 0.33
ABCB1 P08183 1/20 0.33
APP P05067 1/20 0.32
RELA Q04206 1/20 0.32
PPARD Q03181 4/20 0.31
CHRNA7 P36544 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 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
SCHEMBL6156851 1.00 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2ABL1BCR
SCHEMBL6156415 0.87 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2ABL1BCR
SCHEMBL6156407 0.87 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2ABL1BCR
SCHEMBL6155196 0.85 ABL1 (0.38) KDM4EALDH1A1SMN1; SMN2ABL1BCR
SCHEMBL6155185 0.85 ABL1 (0.38) KDM4EALDH1A1SMN1; SMN2ABL1BCR
SCHEMBL6154797 0.84 ABL1 (0.39) KDM4EALDH1A1SMN1; SMN2ABL1BCR
SCHEMBL6154783 0.84 ABL1 (0.39) KDM4EALDH1A1SMN1; SMN2ABL1BCR
SCHEMBL2107022 0.82 LCK (0.46) KDM4EALDH1A1SMN1; SMN2ABL1BCR
SCHEMBL2107024 0.82 LCK (0.46) KDM4EALDH1A1SMN1; SMN2ABL1BCR
SCHEMBL6156397 0.82 PPARA (0.47) KDM4EALDH1A1SMN1; SMN2ESR1PPARA

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