SCHEMBL4895740

SCHEMBL4895740

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL331750 0.80 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL1284120 0.77 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL137371 0.75 TSHR (0.61) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL13863117 0.75 TSHR (0.49) TSHRTHRBALDH1A1
SCHEMBL3627742 0.75 TSHR (0.49) TSHRTHRBALDH1A1
SCHEMBL17805317 0.75 TSHR (0.49) TSHRTHRBALDH1A1
SCHEMBL9301462 0.74 TSHR (0.56) TSHRTHRBALDH1A1
SCHEMBL13863105 0.74 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL235662 0.74 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL35710 0.73 TSHR (0.50) TSHRTHRBALDH1A1USP2CYP3A4

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-20080015282-A1 BIOMEDICAL DEVICES CONTAINING INTERNAL WETTING AGENTS JOHNSON & JOHNSON VISION CARE, INC. 2008-01-17 US claimed