SCHEMBL3264759

SCHEMBL3264759

C=CCCC(N)(CC=C)OC(=O)C=C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.32
ALDH1A1 P00352 4/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL28392326 0.79 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11224859 0.78 TSHR (0.33) TSHRALDH1A1
SCHEMBL3666505 0.75 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL85741 0.72 ALDH1A1 (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11500776 0.72 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10912883 0.72 ALDH1A1 (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8213754 0.71 THRB (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29134499 0.70 ALDH1A1 (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL692056 0.69 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7623084 0.69 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9217080-B2 Microcapsules BASF SE (DE) 2015-12-22 US disclosed
US-20130225717-A1 MICROCAPSULES BASF SE (DE) 2013-08-29 US disclosed
US-8449981-B2 Microcapsules BASF SE (DE) 2013-05-28 US disclosed
US-20100068525-A1 MICROCAPSULES BASF SE (DE) 2010-03-18 US disclosed