SCHEMBL6563984

SCHEMBL6563984

CCC(=O)c1ccc(CCc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
BACE1 P56817 1/20 0.32
USP14 P54578 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6564816 0.85 DAO (0.35) BACE1USP14MAPT
SCHEMBL6883517 0.84 POLB (0.36) POLBTDP1BACE1ALDH1A1
SCHEMBL6883514 0.84 POLB (0.36) POLBTDP1BACE1ALDH1A1
SCHEMBL6565069 0.84 POLB (0.36) POLBTDP1BACE1ALDH1A1
SCHEMBL6566217 0.83 POLB (0.36) POLBTDP1HDAC4HDAC6BACE1
SCHEMBL6888637 0.80
SCHEMBL6563944 0.80
SCHEMBL6888640 0.80
SCHEMBL3279974 0.80 VDR (0.36) BACE1USP14NPC1ALDH1A1MAPT
SCHEMBL7614800 0.79 BACE1 (0.32) BACE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed