SCHEMBL28189986

SCHEMBL28189986

C=CC(=O)OC(C)(C)C(=O)O.[LiH]

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.34
ALDH1A1 P00352 6/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL17792467 0.98 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL31091781 0.95 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18421607 0.81 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28082969 0.80 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16433325 0.79 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10716844 0.79 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrogen Peroxide SCHEMBL27482921 0.78 LMNA (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28190076 0.78 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28082667 0.77 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL24711395 0.77 ALDH1A1 (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107430213-A Hydrophilic optical feature monofilm and its layered product 三井化学株式会社 2017-12-01 CN disclosed