SCHEMBL6887534

SCHEMBL6887534

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TOP2A P11388 1/20 0.37
FAAH O00519 3/20 0.37
EPHX2 P34913 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CNR1 P21554 1/20 0.36
TUBB1 Q9H4B7 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 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
SCHEMBL6885036 0.97 PPARG (0.40) LTB4RLTB4R2PPARGPPARAKDM4E
SCHEMBL6887229 0.93 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6156399 0.91 LTB4R (0.48) LTB4RLTB4R2PPARGPPARAKDM4E
SCHEMBL6155446 0.89 LTB4R (0.44) LTB4RLTB4R2PPARGPPARAKDM4E
SCHEMBL6155189 0.87 TUBB1 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6885251 0.87 CYP4F2 (0.41) PPARGPPARAKDM4EALDH1A1SMN1; SMN2
SCHEMBL6155581 0.86 KDM4E (0.42) LTB4RLTB4R2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6154788 0.86 TUBB1 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6887502 0.86 HDAC1 (0.41) PPARGPPARAKDM4EALDH1A1SMN1; SMN2
SCHEMBL6155410 0.85 CHRM2 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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