SCHEMBL7778159

SCHEMBL7778159

CC(C)(C)[Si](C)(C)Oc1cc(CC=O)cc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
PREP P48147 3/20 0.37
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL1660105 0.86 IDO1 (0.36) CA12CA1CA9PREP
SCHEMBL2761534 0.83 CA12 (0.42) CA12CA1CA9PREPHSP90AA1
SCHEMBL6179207 0.82 PREP (0.47) CA12CA1CA9PREPHSP90AA1
SCHEMBL17318153 0.80 CA12 (0.47) CA12CA1CA9PREPHSP90AA1
SCHEMBL6027683 0.79 CA12 (0.39) CA12CA1CA9PREP
SCHEMBL6155473 0.78 CA12 (0.38) CA12CA1CA9PREP
SCHEMBL17262438 0.78 CA12 (0.38) CA12CA1CA9PREP
SCHEMBL717551 0.78 CA12 (0.41) CA12CA1CA9PREPHSP90AA1
SCHEMBL14274449 0.76 CA12 (0.39) CA12CA1CA9PREP
SCHEMBL17262436 0.75 TAAR1 (0.40) CA12CA1CA9PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed