SCHEMBL8849281

SCHEMBL8849281

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CPA1 P15085 1/20 0.34
ALDH1A1 P00352 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
GRM2 Q14416 1/20 0.30
GRM3 Q14832 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
SCHEMBL8848825 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4155115 0.69 TSHR (0.35) TSHRHIF1AALDH1A1
SCHEMBL19283738 0.68 CPA1 (0.35) CPA1GRM2GRM3
SCHEMBL537136 0.67 CYP2D6 (0.42) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL27968280 0.67 CYP2D6 (0.42) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL28145123 0.67 HIF1A (0.44) CYP2C19HIF1ACPA1ALDH1A1
SCHEMBL11095261 0.66 ADRA1A (0.42) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL2935505 0.66 ALDH1A1 (0.61) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL30839238 0.66 ALDH1A1 (0.61) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL6863275 0.66 CYP2C19 (0.65) CYP2D6TSHRCYP2C19HIF1AALDH1A1

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-0412606-B1 UV-stabilization of polymers using nitro compounds AKZO NOBEL NV (NL) 1997-01-15 EP disclosed
US-5122555-A Mixing with polyolefin and conventional stabilizer AKZO NV (NL) 1992-06-16 US disclosed
EP-0412606-A1 UV-stabilization of polymers using nitro compounds Akzo Nobel N.V. (NL) 1991-02-13 EP disclosed