SCHEMBL6156399

SCHEMBL6156399

CCOc1cc(C=Cc2cccc(C=CCCCCC(=O)O)c2)c(OC)c(OCC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.48
LTB4R2 Q9NPC1 3/20 0.48
TBXAS1 P24557 1/20 0.41
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 3/20 0.40
PPARA Q07869 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FFAR1 O14842 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TUBB1 Q9H4B7 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 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
SCHEMBL6155446 0.97 LTB4R (0.44) LTB4RLTB4R2TBXAS1DRD3KDM4E
SCHEMBL6155581 0.93 KDM4E (0.42) LTB4RLTB4R2DRD3KDM4EALDH1A1
SCHEMBL6887534 0.91 LTB4R (0.39) LTB4RLTB4R2KDM4EPPARAALDH1A1
SCHEMBL6885036 0.89 PPARG (0.40) LTB4RLTB4R2KDM4EPPARAALDH1A1
SCHEMBL6155189 0.88 TUBB1 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6154788 0.87 TUBB1 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6156490 0.86 KDM4E (0.42) LTB4RLTB4R2KDM4EPPARAALDH1A1
SCHEMBL6887229 0.86 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6155410 0.86 CHRM2 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6155178 0.86 KDM4E (0.42) LTB4RLTB4R2KDM4EPPARAALDH1A1

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 3 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 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