SCHEMBL6562874

SCHEMBL6562874

CC/C(=C\CCC(O)(CC)CC)c1cncc(COc2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MAOB P27338 4/20 0.34
MRGPRX4 Q96LA9 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
PKM P14618 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
MAOA P21397 3/20 0.31

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
SCHEMBL6886943 0.89 NPC1 (0.35) CYP4F2CYP4A11MAOBMRGPRX4SMN1; SMN2
SCHEMBL6886939 0.89 NPC1 (0.35) CYP4F2CYP4A11MAOBMRGPRX4SMN1; SMN2
SCHEMBL6564879 0.87 MRGPRX4 (0.34) CYP4F2CYP4A11MAOBMRGPRX4SMN1; SMN2
SCHEMBL6564885 0.87 MRGPRX4 (0.34) CYP4F2CYP4A11MAOBMRGPRX4SMN1; SMN2
SCHEMBL6155784 0.87 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6155781 0.87 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6563996 0.83 VDR (0.44) CYP4F2CYP4A11MAOB
SCHEMBL6563980 0.83 VDR (0.44) CYP4F2CYP4A11MAOB
SCHEMBL6563985 0.83 VDR (0.44) CYP4F2CYP4A11MAOB
SCHEMBL6563956 0.82 MAOB (0.35) MAOBALDH1A1MAOA

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-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed