SCHEMBL28013262

SCHEMBL28013262

C=CC(=O)OCCC=C(C)C(=O)OC.N=C=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28007306 0.92 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27465283 0.83 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21995155 0.79 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Methyl Ester SCHEMBL28099897 0.76 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6266348 0.76 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3793027 0.76 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL9751739 0.75 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27940506 0.75 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
Potassium Ion SCHEMBL9117014 0.74 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8943038 0.74 ALDH1A1 (0.48) TSHRALDH1A1THRBCYP2D6CYP2C19

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-101495919-B Positive photosensitive resin composition, method for preparing cured relief pattern, semiconductor device ASAHI KASEI E MATERIALS CORP 2015-05-06 CN disclosed