SCHEMBL9814468

SCHEMBL9814468

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
ALDH1A1 P00352 5/20 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
THRB P10828 2/20 0.40
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
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
SCHEMBL9814482 0.91 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8849031 0.89 ALDH1A1 (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9814484 0.87 THRB (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15798306 0.84 ALDH1A1 (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9814478 0.81 THRB (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19259269 0.80 ALDH1A1 (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2033070 0.78 ALDH1A1 (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL891719 0.78 ALDH1A1 (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18495622 0.76 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29524745 0.76 LMNA (0.58) 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 2 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