SCHEMBL3293297

SCHEMBL3293297

CC(Cc1ccccc1)([N+](=O)[O-])C(C)(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LMNA P02545 2/20 0.45
CYP2D6 P10635 1/20 0.45
TRPA1 O75762 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C19 P33261 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
FDPS P14324 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 2/20 0.38
CPA1 P15085 3/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL10831201 0.84 SLC6A2 (0.55) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL4371898 0.83 SLC6A2 (0.48) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL1828129 0.78 SMN1; SMN2 (0.42) SLC6A2TAAR1LMNACYP2D6SMN1; SMN2
Phenol SCHEMBL28311359 0.76 FNTA (0.42) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL8331176 0.75 FDPS (0.47) SLC6A2TAAR1LMNASMN1; SMN2HIF1A
SCHEMBL19610232 0.75 FDPS (0.47) SLC6A2TAAR1LMNASMN1; SMN2HIF1A
SCHEMBL3202580 0.73 CYP1A2 (0.45) SLC6A2TAAR1LMNACYP2D6SMN1; SMN2
SCHEMBL2838054 0.72 SLC6A2 (0.50) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL9617912 0.72 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ACYP2C19CYP2C9CYP3A4
SCHEMBL10717351 0.72 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ACYP2C19CYP2C9FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US disclosed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US disclosed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US disclosed