SCHEMBL6155429

SCHEMBL6155429

CCC(=CCC(O)C1CC1)c1cccc(CCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.35
LTB4R Q15722 2/20 0.31
HTR2A P28223 2/20 0.31
PTGER4 P35408 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
EPHX1 P07099 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL6155422 0.85 VDR (0.52) VDREPHX1
SCHEMBL6155414 0.85 VDR (0.52) VDREPHX1
SCHEMBL6155434 0.85 VDR (0.52) VDREPHX1
SCHEMBL6155195 0.83 MAOB (0.41) VDR
SCHEMBL6155508 0.76 VDR (0.39) VDRLTB4R
SCHEMBL3283557 0.72 LTB4R (0.41) LTB4R
SCHEMBL3280250 0.71 VDR (0.53) VDRLTB4R
SCHEMBL6156219 0.71 VDR (0.44) VDRLTB4R
SCHEMBL6155192 0.70 VDR (0.58) VDR
SCHEMBL6155201 0.70 VDR (0.58) 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 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 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