SCHEMBL3780717

SCHEMBL3780717

C=C(CCC(=O)O[Si](CCCC)(CCCC)CCCC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
THRB P10828 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
PAM P19021 2/20 0.32
AKR1B1 P15121 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
DGKA P23743 1/20 0.31
GPR84 Q9NQS5 7/20 0.31
PPARG P37231 6/20 0.31
PPARD Q03181 6/20 0.31
PPARA Q07869 6/20 0.31
HDAC11 Q96DB2 5/20 0.31
TSHR P16473 4/20 0.31
ALDH1A1 P00352 2/20 0.31
TLR2 O60603 2/20 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
SCHEMBL3782450 0.95 THRB (0.35) CA12CA14THRBFNTAFNTB
SCHEMBL3787347 0.94 THRB (0.38) CA12CA14THRBFNTAFNTB
SCHEMBL3778413 0.94 THRB (0.38) CA12CA14THRBFNTAFNTB
SCHEMBL3790480 0.90 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3782646 0.82 TBXAS1 (0.32) TSHR
SCHEMBL6545164 0.80 DGKA (0.44) CA12CA14PAMCA2CA7
SCHEMBL4643731 0.79 CA12 (0.36) CA12CA14PAMAKR1B1CA2
SCHEMBL3788685 0.79
SCHEMBL4642209 0.77 DGKA (0.37) CA12CA14PAMCA2CA7
SCHEMBL4642538 0.77 NAAA (0.40) CA12CA14CA2CA7CA9

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-20100183540-A1 BRANCHED POLYMER AND ANTIFOULING COATING COMPOSITION COMPRISING THE POLYMER JOTUN A/S (NO) 2010-07-22 US disclosed