SCHEMBL28032553

SCHEMBL28032553

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.52
▸ HPGD P15428 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.46
▸ TP53 P04637 3/20 0.46
▸ HIF1A Q16665 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ THRB P10828 2/20 0.42
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ATM Q13315 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HCAR2 Q8TDS4 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
Hydrochloric Acid SCHEMBL28000487 0.98 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL31510117 0.85 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL26919224 0.83 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Bromide SCHEMBL28232896 0.81 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL28232876 0.81 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL28338986 0.80 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15512111 0.79 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17764935 0.79 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL28715839 0.79 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1476239 0.78 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A

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
CN-108699365-A Ink, printing process, printed article and ink agent used for textiles JSR株式会社 2018-10-23 — — CN disclosed
CN-105045040-A Colorant, curable composition, cured film, display device and solid state imaging device Jsr 2015-11-11 — — CN disclosed
Send feedback