SCHEMBL6887502

SCHEMBL6887502

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TOP2A P11388 1/20 0.39
AKR1C3 P42330 1/20 0.38
ALOX5 P09917 1/20 0.37
HDAC4 P56524 1/20 0.37
MEF2D Q14814 1/20 0.37
HPGD P15428 1/20 0.36
S1PR1 P21453 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BCHE P06276 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
SCHEMBL6885251 0.99 CYP4F2 (0.41) HDAC1HDAC6CYP4F2CYP4A11PPARA
SCHEMBL6155178 0.92 KDM4E (0.42) HDAC1HDAC6PPARAPPARGKDM4E
SCHEMBL6156490 0.91 KDM4E (0.42) HDAC1HDAC6PPARAPPARGKDM4E
SCHEMBL6158593 0.88 TUBB1 (0.38) CYP4F2CYP4A11PPARAPPARGKDM4E
SCHEMBL6156369 0.88 TUBB1 (0.38) CYP4F2CYP4A11PPARAPPARGKDM4E
SCHEMBL6887534 0.86 LTB4R (0.39) HDAC1CYP4F2CYP4A11PPARAPPARG
SCHEMBL6158412 0.86 PPARA (0.38) PPARAPPARGKDM4EALDH1A1SMN1; SMN2
SCHEMBL6885036 0.85 PPARG (0.40) CYP4F2CYP4A11PPARAPPARGKDM4E
SCHEMBL6154629 0.85 TUBB1 (0.37) PPARAPPARGKDM4EALDH1A1SMN1; SMN2
SCHEMBL6887229 0.83 KDM4E (0.39) CYP4F2CYP4A11KDM4EALDH1A1SMN1; 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 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