SCHEMBL6885251

SCHEMBL6885251

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AKR1C3 P42330 1/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
ALOX5 P09917 1/20 0.38
HDAC4 P56524 1/20 0.38
MEF2D Q14814 1/20 0.38
TOP2A P11388 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BCHE P06276 1/20 0.36
LMNA P02545 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
SCHEMBL6887502 0.99 HDAC1 (0.41) CYP4F2CYP4A11KDM4EALDH1A1SMN1; SMN2
SCHEMBL6156490 0.91 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HDAC1HDAC6
SCHEMBL6155178 0.91 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HDAC1HDAC6
SCHEMBL6887534 0.87 LTB4R (0.39) CYP4F2CYP4A11KDM4EALDH1A1SMN1; SMN2
SCHEMBL6158593 0.86 TUBB1 (0.38) CYP4F2CYP4A11KDM4EALDH1A1SMN1; SMN2
SCHEMBL6156369 0.86 TUBB1 (0.38) CYP4F2CYP4A11KDM4EALDH1A1SMN1; SMN2
SCHEMBL6885036 0.86 PPARG (0.40) CYP4F2CYP4A11KDM4EALDH1A1SMN1; SMN2
SCHEMBL6154629 0.85 TUBB1 (0.37) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6158412 0.85 PPARA (0.38) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
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