SCHEMBL6155591

SCHEMBL6155591

CCC(=CC=CC(O)(CC)CC)c1cccc(COc2ccc(C(O)O)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.62
MRGPRX4 Q96LA9 10/20 0.45
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 3/20 0.42
PKM P14618 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL2781788 0.90 VDR (0.70) VDR
SCHEMBL2781757 0.88 VDR (0.48) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL3280250 0.86 VDR (0.53) VDR
SCHEMBL6155583 0.82 VDR (0.85) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6155596 0.82 VDR (0.85) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6155588 0.82 VDR (0.85) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6154780 0.80 VDR (0.53) VDRSMN1; SMN2RAB9ANPC1
SCHEMBL6565004 0.80 VDR (0.44) VDR
SCHEMBL2783369 0.80 MRGPRX4 (0.44) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6563165 0.80 VDR (0.44) VDR

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