SCHEMBL6562899

SCHEMBL6562899

CCC(O)(CC)Cc1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.53
MRGPRX4 Q96LA9 2/20 0.42
PTGER4 P35408 2/20 0.41
FFAR1 O14842 6/20 0.40
SLC13A5 Q86YT5 2/20 0.40
NR4A2 P43354 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
SMPD1 P17405 1/20 0.37
GSTP1 P09211 1/20 0.37
F2 P00734 1/20 0.37
GNA15 P30679 1/20 0.37
PPARD Q03181 1/20 0.36

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
SCHEMBL6565057 0.93 VDR (0.53) VDRMRGPRX4FFAR1NR4A2F2
SCHEMBL7609494 0.89 VDR (0.49) VDRMRGPRX4FFAR1NR4A2F2
SCHEMBL6564607 0.86 VDR (0.57) VDRMRGPRX4PTGER4FFAR1SLC13A5
SCHEMBL6566409 0.84 VDR (0.49) VDRMRGPRX4PTGER4FFAR1SLC13A5
SCHEMBL6563099 0.81 VDR (0.49) VDRMRGPRX4FFAR1NR4A2F2
SCHEMBL6564194 0.81 VDR (0.50) VDRMRGPRX4PTGER4FFAR1SLC13A5
SCHEMBL27568058 0.81 TSHR (0.46) VDRMRGPRX4FFAR1SLC13A5NR4A2
SCHEMBL6564829 0.80 VDR (0.50) VDRMRGPRX4PTGER4FFAR1NR4A2
SCHEMBL7609504 0.79 VDR (0.41) VDRMRGPRX4FFAR1NR4A2F2
SCHEMBL7613338 0.79 VDR (0.44) VDRMRGPRX4PTGER4FFAR1NR4A2

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
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US claimed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP claimed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO claimed
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US disclosed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed