SCHEMBL10338145

SCHEMBL10338145

C=CC(=O)OCCN1C(C)(C)CC(OOC(=O)C=C)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 2/20 0.33

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
SCHEMBL8849439 0.86 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL69841 0.77 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11737653 0.76 TSHR (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9580885 0.75 THRB (0.34) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10917669 0.74 AMPD2 (0.36) TSHRALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL69828 0.73 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10592807 0.72 TSHR (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL225587 0.71 TSHR (0.34) TSHRHPGD
SCHEMBL11527663 0.71 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL69433 0.70 TSHR (0.37) TSHRALDH1A1TP53HIF1AHSD17B10

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
JP-2049767-A None JP disclosed
JP-H0249767-A UNSATURATED DERIVATIVE OF 2,2,6,6-TETRAMETHYLPIPERIDINE, AND USE THEREOF AS LIGHT STABILIZER AND CROSSLINKING AGENT CIBA GEIGY AG 1990-02-20 JP disclosed