SCHEMBL6155581

SCHEMBL6155581

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
TUBB1 Q9H4B7 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38

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 0.94 LTB4R (0.44) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6156399 0.93 LTB4R (0.48) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6887229 0.91 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6885036 0.87 PPARG (0.40) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6154960 0.86 CHRM2 (0.40) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6887534 0.86 LTB4R (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6154788 0.85 TUBB1 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6155189 0.84 TUBB1 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6155410 0.84 CHRM2 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6156413 0.84 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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