SCHEMBL31290764

SCHEMBL31290764

O=C(O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.73
ALDH1A1 P00352 5/20 0.60
MAPT P10636 3/20 0.60
TDP1 Q9NUW8 2/20 0.56
GAA P10253 1/20 0.52
GPR35 Q9HC97 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FFAR1 O14842 1/20 0.48
CES2 O00748 1/20 0.48
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
GRIA2 P42262 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL2130852 1.00 CYP1A2 (0.73) CYP1A2ALDH1A1MAPTTDP1GAA
SCHEMBL4197255 0.92 CYP1A2 (0.71) CYP1A2ALDH1A1MAPTTDP1GAA
SCHEMBL4073468 0.89 CYP1A2 (0.68) CYP1A2ALDH1A1MAPTTDP1GAA
SCHEMBL1139053 0.89 CYP1A2 (0.68) CYP1A2ALDH1A1MAPTTDP1GAA
SCHEMBL27790546 0.88 CYP1A2 (0.66) CYP1A2ALDH1A1MAPTTDP1GAA
SCHEMBL3291900 0.85 CYP1A2 (1.00) CYP1A2ALDH1A1MAPTTDP1GAA
SCHEMBL865986 0.85 CYP1A2 (1.00) CYP1A2ALDH1A1MAPTTDP1GAA
SCHEMBL18982479 0.84 CYP1A2 (0.53) CYP1A2ALDH1A1MAPTTDP1GAA
SCHEMBL2616897 0.84 CYP1A2 (0.53) CYP1A2ALDH1A1MAPTTDP1GAA
SCHEMBL17353527 0.84 CYP1A2 (0.53) CYP1A2ALDH1A1MAPTTDP1GAA

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-119193116-A High-temperature-resistant drilling fluid lubricant and production process thereof 昌吉市疆北油脂化工厂 2024-12-27 CN claimed
CN-119193116-A High-temperature-resistant drilling fluid lubricant and production process thereof 昌吉市疆北油脂化工厂 2024-12-27 CN disclosed