SCHEMBL2885567

SCHEMBL2885567

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.38
ALDH1A1 P00352 4/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL2880753 0.84 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23501486 0.80 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2880702 0.78 ALDH1A1 (0.42) TSHRALDH1A1THRB
SCHEMBL384221 0.77 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14641364 0.75 ALDH1A1 (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL384901 0.75 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2883351 0.74 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2883056 0.73 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2883942 0.72 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27888796 0.72 TSHR (0.33) TSHRHPGDTHRB

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