SCHEMBL2881176

SCHEMBL2881176

C=CC(=O)OCC1(C(C)CC)COC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.36
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2883056 0.86 TSHR (0.46) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL2878067 0.85 TSHR (0.42) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL2880897 0.79 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL384901 0.74 TSHR (0.42) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL2878415 0.74 TSHR (0.43) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL2883351 0.74 TSHR (0.47) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL384221 0.74 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL2878066 0.73 TSHR (0.35) TSHRHPGD
SCHEMBL2883942 0.72 TSHR (0.43) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL27903256 0.72 TSHR (0.33) TSHRHPGD

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-7759451-B2 Fumaric diester copolymer TOSOH CORPORATION (JP) 2010-07-20 US disclosed
US-20070298247-A1 Fumaric diester copolymer TOSOH CORPORATION (JP) 2007-12-27 US disclosed