SCHEMBL2401055

SCHEMBL2401055

C/C(=C\CCCN(CC1CO1)CC1CO1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.35
ALDH1A1 P00352 1/20 0.32
PPARG P37231 1/20 0.32
TBXAS1 P24557 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
SCHEMBL2401062 1.00 CD81 (0.35) CD81ALDH1A1PPARGTBXAS1
SCHEMBL2398931 0.85 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2398936 0.85 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6061137 0.79 CD81 (0.39) CD81ALDH1A1PPARGTBXAS1
SCHEMBL602980 0.79 CD81 (0.39) CD81ALDH1A1PPARGTBXAS1
SCHEMBL22150154 0.78 ALDH1A1 (0.41) CD81ALDH1A1PPARGTBXAS1
SCHEMBL22150186 0.76 ALDH1A1 (0.44) CD81ALDH1A1TBXAS1
SCHEMBL22150156 0.76 ALDH1A1 (0.44) CD81ALDH1A1TBXAS1
SCHEMBL475017 0.76 ALDH1A1 (0.44) CD81ALDH1A1TBXAS1
SCHEMBL475020 0.76 ALDH1A1 (0.44) CD81ALDH1A1TBXAS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315608-B2 Conjugated diene polymer rubber, and conjugated diene polymer rubber composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20140206811-A1 CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-24 US disclosed
US-20110237737-A1 CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-29 US disclosed