SCHEMBL9119487

SCHEMBL9119487

CC1=C([N+](=O)[O-])C=CC(C)C1(C)[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 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
SCHEMBL31148320 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9707328 0.67 ACHE (0.31) HSD17B10ACHE
SCHEMBL3382768 0.63
SCHEMBL19159935 0.59 ACHE (0.30) HSD17B10ACHE
SCHEMBL8713775 0.59
SCHEMBL9707588 0.56
SCHEMBL29018416 0.56
SCHEMBL10444149 0.56
SCHEMBL4445312 0.53
SCHEMBL12281360 0.53 ACHE (0.31) HSD17B10ACHEALDH1A1TSHR

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
WO-1995020637-A2 HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) 1995-08-03 WO claimed
WO-1995020637-A2 HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) 1995-08-03 WO disclosed