SCHEMBL6155417

SCHEMBL6155417

CCOCOc1cc(C=Cc2cccc(C=CCCCC=O)c2)cc(OCOCC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
ESR1 P03372 2/20 0.37
AHR P35869 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCB1 P08183 1/20 0.36
PPARA Q07869 3/20 0.35
PPARG P37231 2/20 0.35
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
RELA Q04206 1/20 0.35
APP P05067 1/20 0.34
PPARD Q03181 2/20 0.34
CHRNA7 P36544 2/20 0.33
CHRNB2 P17787 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
SCHEMBL6155406 1.00 CHRM2 (0.38) CHRM2CHRM1CHRM3ABL1BCR
SCHEMBL6154966 0.93 CHRM2 (0.40) CHRM2CHRM1CHRM3ABL1BCR
SCHEMBL6154955 0.93 CHRM2 (0.40) CHRM2CHRM1CHRM3ABL1BCR
SCHEMBL6154783 0.87 ABL1 (0.39) CHRM2CHRM1CHRM3ABL1BCR
SCHEMBL6154797 0.87 ABL1 (0.39) CHRM2CHRM1CHRM3ABL1BCR
SCHEMBL6155196 0.86 ABL1 (0.38) CHRM2CHRM1CHRM3ABL1BCR
SCHEMBL6155185 0.86 ABL1 (0.38) CHRM2CHRM1CHRM3ABL1BCR
SCHEMBL6155450 0.85 PPARA (0.45) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6155441 0.85 PPARA (0.45) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6156403 0.84 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