SCHEMBL9814478

SCHEMBL9814478

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
TSHR P16473 7/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 2/20 0.34
LMNA P02545 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
SCHEMBL9814483 0.92 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL15805828 0.92 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL15798136 0.88 ALDH1A1 (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL8849877 0.85 ALDH1A1 (0.52) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9814468 0.81 TSHR (0.42) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL15805876 0.80 ALDH1A1 (0.56) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL15798224 0.80 ALDH1A1 (0.56) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL18923184 0.78 ALDH1A1 (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9814484 0.78 THRB (0.45) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19259267 0.76 ALDH1A1 (0.43) THRBTSHRALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290883-B1 MODIFIED DIENE POLYMER RUBBERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
US-4885338-A REACTING ALKALI METAL-CONTAINING CONJUGATED DIENE POLYMER WITH NITROALKYL ACRYLATE OR NITROAMINO COMPOUND; TIRE TREADS, IMPACT RESILIENCE, REDUCED HARDNESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-12-05 US disclosed
EP-0290883-A1 Modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-17 EP disclosed