SCHEMBL6885100

SCHEMBL6885100

COC(=O)CCCCc1cccc(C=Cc2cc(CO[Si](C)(C)C(C)(C)C)cc(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
BACE1 P56817 1/20 0.37
HDAC4 P56524 1/20 0.36
MEF2D Q14814 1/20 0.36
ALOX5 P09917 1/20 0.36
CSF1R P07333 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6155454 0.90 MAPT (0.40) CYP4F2CYP4A11HDAC6HDAC1BACE1
SCHEMBL6155458 0.90 MAPT (0.40) CYP4F2CYP4A11HDAC6HDAC1BACE1
SCHEMBL6156155 0.83 HMGCR (0.49) CYP4F2CYP4A11BACE1HDAC4MEF2D
SCHEMBL13008128 0.76 SIRT2 (0.36) BACE1HSP90AB1SIRT2KDM4EALDH1A1
SCHEMBL6878730 0.75 FFAR1 (0.40) HDAC6HDAC1PDE3BPDE3AP2RY12
SCHEMBL6878844 0.75 MTNR1A (0.41) HDAC6HDAC1
SCHEMBL4841595 0.74 HDAC6 (0.41) HDAC6HDAC1PDE3BPDE3AP2RY12
SCHEMBL20298754 0.73 LCK (0.44) BACE1KDM4EALDH1A1HPGD
SCHEMBL6885108 0.73 CYP4F2 (0.42) CYP4F2CYP4A11HDAC6HDAC1PDE3B
SCHEMBL6885094 0.73 CYP4F2 (0.42) CYP4F2CYP4A11HDAC6HDAC1PDE3B

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