SCHEMBL14865133

SCHEMBL14865133

C=CC(=O)OC(C)(C)CC(C)(C)[N+](C)(C)C(C)(C)CC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HPGD P15428 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
SCHEMBL1108027 0.85 TSHR (0.38) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL7158382 0.81 TSHR (0.40) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL23771556 0.80 ALDH1A1 (0.39) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL14865156 0.78 TSHR (0.38) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL24130745 0.77 TSHR (0.42) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL18912078 0.76 TSHR (0.32) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL15743892 0.76 TSHR (0.36) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL29072786 0.76 TSHR (0.36) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL23746012 0.74 TSHR (0.35) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL21626582 0.74 TSHR (0.35) TSHRALDH1A1TP53CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2581394-A1 IONIC COMPOUND, COMPOSITION, CURED PRODUCT, HYDROGEL, AND OCULAR LENS Menicon Co., Ltd. (JP) 2013-04-17 EP disclosed