SCHEMBL7701111

SCHEMBL7701111

C=CCc1cc[c]c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL831217 0.79 GABRA1 (0.36) ALDH1A1POLBGABRA1GABRB2
SCHEMBL11172226 0.75 ALDH1A1 (0.47) ALDH1A1TDP1POLBGABRA1GABRB2
SCHEMBL17500355 0.74 POLB (0.33) ALDH1A1TDP1POLBGABRA1GABRB2
SCHEMBL11129605 0.71 TXNRD1 (0.40) ALDH1A1TDP1POLBGABRA1GABRB2
SCHEMBL7701112 0.71 TSHR (0.35) ALDH1A1TDP1POLBGABRA1GABRB2
SCHEMBL10693919 0.70 TSHR (0.49) ALDH1A1TDP1GABRA1GABRB2
SCHEMBL18478 0.70 TSHR (0.42) ALDH1A1TDP1POLB
SCHEMBL28277263 0.69 POLB (0.36) ALDH1A1TDP1POLBGABRA1GABRB2
SCHEMBL1135430 0.69 GPR35 (0.51) ALDH1A1TDP1POLBGABRA1GABRB2
SCHEMBL301080 0.68 TDP1 (0.34) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339177-B1 TO INHIBIT OLEFIN POLYMERIZATION BY DEACTIVATING RADICALS THAT LEAD TO POLYMERIZATION SEA LION TECHNOLOGY, INC. 2002-01-15 US disclosed