SCHEMBL6156099

SCHEMBL6156099

CCC(O)(CC)CCCCNCc1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BCHE P06276 7/20 0.47
CHRM2 P08172 1/20 0.43
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL6155122 0.97 VDR (0.48) VDRKDM4ESMN1; SMN2BCHECHRM2
SCHEMBL6155482 0.90 BCHE (0.49) VDRKDM4ESMN1; SMN2BCHECHRM2
SCHEMBL6155828 0.87 BCHE (0.50) VDRKDM4ESMN1; SMN2BCHECHRM2
SCHEMBL6157274 0.87 BCHE (0.47) KDM4ESMN1; SMN2BCHECHRM2
SCHEMBL6156545 0.83 BCHE (0.47) KDM4ESMN1; SMN2BCHE
SCHEMBL6881441 0.83 BCHE (0.51) KDM4ESMN1; SMN2BCHECHRM2
SCHEMBL6158285 0.82 VDR (0.49) VDRTHRB
SCHEMBL6878833 0.80 BCHE (0.50) KDM4ESMN1; SMN2BCHE
SCHEMBL6883442 0.80 BCHE (0.52) KDM4ESMN1; SMN2BCHECHRM2TP53
SCHEMBL6884483 0.79 VDR (0.48) VDRKDM4ESMN1; SMN2BCHE

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 8 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-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP claimed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO 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