SCHEMBL28070957

SCHEMBL28070957

CCCc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
TXNRD1 Q16881 2/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
GPR35 Q9HC97 1/20 0.39
MAPT P10636 4/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
PDK1 Q15118 1/20 0.36
PIM3 Q86V86 1/20 0.36
LMNA P02545 1/20 0.36
FBP1 P09467 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL28070827 0.89 ALDH1A1 (0.44) TSHRTXNRD1TXNRD3TXNRD2GPR35
SCHEMBL2831050 0.88 TXNRD1 (0.46) TSHRTXNRD1TXNRD3TXNRD2GPR35
SCHEMBL1828132 0.86 TSHR (0.47) TSHRTXNRD1TXNRD3TXNRD2GPR35
SCHEMBL9641198 0.84 TSHR (0.55) TSHRGPR35ALDH1A1TDP1HSD17B10
SCHEMBL5249874 0.77 TXNRD1 (0.43) TSHRTXNRD1TXNRD3TXNRD2GPR35
SCHEMBL11327230 0.77 TSHR (0.55) TSHRTXNRD1TXNRD3TXNRD2GPR35
SCHEMBL1557317 0.77 TXNRD1 (0.43) TSHRTXNRD1TXNRD3TXNRD2GPR35
SCHEMBL3302919 0.77 TSHR (0.56) TSHRTXNRD1TXNRD3TXNRD2GPR35
SCHEMBL5029422 0.76 TDP1 (0.43) TSHRTXNRD1MAPTCYP3A4ALDH1A1
SCHEMBL10659882 0.76 TXNRD1 (0.42) TSHRTXNRD1TXNRD3TXNRD2GPR35

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
CN-105647598-A Gasoline product containing combustion improver, and preparation method thereof 周向进 2016-06-08 CN claimed
CN-105647598-A Gasoline product containing combustion improver, and preparation method thereof 周向进 2016-06-08 CN disclosed