SCHEMBL3780762

SCHEMBL3780762

CC(=CCC(=O)O[Si](C)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
AKR1C3 P42330 1/20 0.40
CYP2C9 P11712 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NR4A2 P43354 1/20 0.35
RXRG P48443 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
APEX1 P27695 7/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PPARG P37231 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TBXAS1 P24557 1/20 0.32
HTT P42858 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
SCHEMBL3780444 0.88 MAPT (0.47) MAPTAKR1C3CYP2C9RXRARXRB
SCHEMBL3785121 0.86 MAPT (0.45) MAPTAKR1C3CYP2C9RXRARXRB
SCHEMBL3786632 0.81 MAPT (0.41) MAPTAKR1C3CYP2C9RXRARXRB
SCHEMBL3781076 0.79 CYP2C9 (0.40) MAPTAKR1C3CYP2C9RXRARXRB
SCHEMBL8406891 0.77 MAPT (0.57) MAPTAKR1C3CYP2C9RXRARXRB
SCHEMBL3791370 0.77 CYP2C9 (0.41) MAPTAKR1C3CYP2C9ALDH1A1
SCHEMBL3791372 0.76 MAPT (0.36) MAPTAKR1C3PPARGALDH1A1
SCHEMBL3792031 0.76 MAPT (0.33) MAPT
SCHEMBL3786964 0.75 CYP2C9 (0.40) CYP2C9ALDH1A1
SCHEMBL8357936 0.74 MAPT (0.54) MAPTAKR1C3CYP2C9RXRARXRB

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