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Sugi Predict / Compounds / SCHEMBL6884347

SCHEMBL6884347

SCHEMBL6884347

C/C(=C/CCC(=O)O)c1cccc(NCCc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.35
▸ TBXAS1 P24557 7/20 0.34
▸ TBXA2R P21731 5/20 0.34
▸ PPARA Q07869 6/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ FFAR1 O14842 1/20 0.32

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
SCHEMBL6884350 1.00 KMT2A (0.35) KMT2ATBXAS1TBXA2RPPARAMEN1
SCHEMBL6885032 0.86 KMT2A (0.46) KMT2AMEN1MAPT
SCHEMBL6884344 0.80 PPARA (0.38) KMT2ATBXAS1PPARABACE1FFAR1
SCHEMBL6884354 0.74 TBXA2R (0.33) KMT2ATBXAS1TBXA2RPPARAFFAR1
SCHEMBL6156231 0.73 MAOB (0.41) KMT2ABACE1
SCHEMBL6884295 0.72 BACE1 (0.35) TBXAS1BACE1
SCHEMBL6155830 0.72 BACE1 (0.35) TBXAS1BACE1
SCHEMBL6884293 0.72 BACE1 (0.35) TBXAS1BACE1
SCHEMBL6883517 0.71 POLB (0.36) BACE1
SCHEMBL6883514 0.71 POLB (0.36) 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 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