SCHEMBL4917439

SCHEMBL4917439

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
MAPT P10636 1/20 0.41
APEX1 P27695 8/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
NR4A2 P43354 1/20 0.38
RXRG P48443 1/20 0.38
CYP2C9 P11712 1/20 0.36
TBXAS1 P24557 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.33
ALOX5 P09917 1/20 0.33
GLA P06280 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL17420014 0.82 AKR1C3 (0.44) AKR1C3MAPTAPEX1RXRARXRB
SCHEMBL5144091 0.77 AKR1C3 (0.50) AKR1C3MAPTAPEX1RXRARXRB
SCHEMBL3297070 0.77 AKR1C3 (0.50) AKR1C3MAPTAPEX1RXRARXRB
SCHEMBL6357912 0.77 MAPT (0.41) AKR1C3MAPTAPEX1RXRARXRB
SCHEMBL3787971 0.76 MAPT (0.49) AKR1C3MAPTAPEX1RXRARXRB
SCHEMBL3293184 0.76 MAPT (0.49) AKR1C3MAPTAPEX1RXRARXRB
SCHEMBL560335 0.75 AKR1C3 (0.44) AKR1C3MAPTAPEX1RXRARXRB
SCHEMBL3782444 0.68 CYP2C9 (0.46) AKR1C3MAPTRXRARXRBNR4A2
SCHEMBL476070 0.68 PTGS1 (0.32) AKR1C3
SCHEMBL16178525 0.68 PTGS1 (0.32) AKR1C3

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
US-20160009925-A1 ANTIFOULING COATING COMPOSITION, ANTIFOULING COATING FILM FORMED USING SAID COMPOSITION, AND COATED ARTICLE HAVING ANTIFOULING COATING FILM ON SURFACE NITTO KASEI CO., LTD. (JP) 2016-01-14 US disclosed
US-20080038241-A1 Self-Polishing Anti-Fouling coating Compositions Comprising An Enzyme BIOLOCUS A/S (DK) 2008-02-14 US disclosed