SCHEMBL6155446

SCHEMBL6155446

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.44
LTB4R2 Q9NPC1 2/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
DRD3 P35462 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PPARA Q07869 2/20 0.39
FFAR1 O14842 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
TBXAS1 P24557 1/20 0.37
TUBB1 Q9H4B7 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37

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
SCHEMBL6156399 0.97 LTB4R (0.48) LTB4RLTB4R2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6155581 0.94 KDM4E (0.42) LTB4RLTB4R2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6885036 0.91 PPARG (0.40) LTB4RLTB4R2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6887534 0.89 LTB4R (0.39) LTB4RLTB4R2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6154788 0.88 TUBB1 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6887229 0.87 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6155410 0.87 CHRM2 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6155189 0.87 TUBB1 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6156413 0.86 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6156490 0.85 KDM4E (0.42) LTB4RLTB4R2KDM4EALDH1A1SMN1; SMN2

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