SCHEMBL6155445

SCHEMBL6155445

CC(C)(O)C=CC=CC(C)(C)c1cccc(OCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
APP P05067 2/20 0.39
F2 P00734 2/20 0.38
MAOB P27338 5/20 0.37
PKM P14618 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPRB P23467 1/20 0.37
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
ALOX5 P09917 1/20 0.37
SOD1 P00441 1/20 0.36
MAOA P21397 1/20 0.36
BCL2 P10415 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6156001 0.86 VDR (0.41) NR4A1NR4A2NR4A3APPMAOB
SCHEMBL6155433 0.81 VDR (0.54) NR4A1NR4A2NR4A3APPF2
SCHEMBL6155449 0.81 VDR (0.54) NR4A1NR4A2NR4A3APPF2
SCHEMBL2107509 0.80 F2 (0.44) NR4A1NR4A2NR4A3F2MAOB
SCHEMBL6155057 0.79 NR4A2 (0.46) NR4A1NR4A2NR4A3MAOBPKM
SCHEMBL6155052 0.79 NR4A2 (0.46) NR4A1NR4A2NR4A3MAOBPKM
SCHEMBL6887830 0.78 MRGPRX4 (0.41) NR4A1NR4A2NR4A3MAOBPKM
SCHEMBL6887832 0.78 MRGPRX4 (0.41) NR4A1NR4A2NR4A3MAOBPKM
SCHEMBL6155865 0.76 FFAR1 (0.40) NR4A1NR4A2NR4A3APPMAOB
SCHEMBL3205501 0.74 PKM (0.55) NR4A1NR4A2NR4A3MAOBPKM

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