SCHEMBL3781076

SCHEMBL3781076

CC(=CCC(=O)O[Si](C)(C)Cc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
MAPT P10636 1/20 0.39
AKR1C3 P42330 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TBXAS1 P24557 3/20 0.34
TSHR P16473 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HPGD P15428 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TSPO P30536 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
NR4A2 P43354 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL3791370 0.86 CYP2C9 (0.41) CYP2C9MAPTAKR1C3ALDH1A1TRPV1
SCHEMBL3786964 0.83 CYP2C9 (0.40) CYP2C9ALDH1A1TSHRTRPV1HPGD
SCHEMBL3780762 0.79 MAPT (0.47) CYP2C9MAPTAKR1C3ALDH1A1TBXAS1
SCHEMBL3780444 0.79 MAPT (0.47) CYP2C9MAPTAKR1C3ALDH1A1TBXAS1
SCHEMBL3787351 0.78 MAPT (0.31) MAPT
SCHEMBL476074 0.77 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL3785121 0.77 MAPT (0.45) CYP2C9MAPTAKR1C3ALDH1A1TBXAS1
SCHEMBL475845 0.75
SCHEMBL28365519 0.74 HCAR2 (0.46) MAPTALDH1A1
SCHEMBL3788693 0.74

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