SCHEMBL6155129

SCHEMBL6155129

CCC(O)(CC)CCCN(C)c1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.48
APP P05067 1/20 0.40
MTNR1A P48039 11/20 0.38
MTNR1B P49286 11/20 0.38
ALOX5 P09917 1/20 0.38
BCL2 P10415 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL6156102 0.97 VDR (0.48) VDRAPPMTNR1AMTNR1BALOX5
SCHEMBL6155831 0.90 VDR (0.46) VDRAPPMTNR1AMTNR1BBCL2
SCHEMBL6155485 0.87 VDR (0.45) VDRAPPMTNR1AMTNR1BBCL2
SCHEMBL6155846 0.86 VDR (0.46) VDRMTNR1AMTNR1BBCL2
SCHEMBL6156550 0.86 BCL2 (0.41) APPMTNR1AMTNR1BBCL2
SCHEMBL6157281 0.84 MTNR1A (0.39) APPMTNR1AMTNR1BBCL2
SCHEMBL6155134 0.82 APP (0.43) APPMTNR1AMTNR1BBCL2
SCHEMBL6155289 0.80 VDR (0.46) VDRAPPALOX5BCL2NOS1
SCHEMBL6156106 0.80 APP (0.42) APPMTNR1AMTNR1BBCL2
SCHEMBL6156554 0.79 BCL2 (0.43) APPMTNR1AMTNR1BALOX5BCL2

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 6 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 claimed
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 claimed
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