SCHEMBL10978752

SCHEMBL10978752

CC(=O)c1ccc([N+](=O)[O-])cc1.CC1(c2ccc([N+](=O)[O-])cc2)OCCO1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.67
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAOB P27338 1/20 0.49
CES1 P23141 2/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
CES2 O00748 1/20 0.42

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
SCHEMBL2082451 0.89 HSD17B10 (0.47) MAPK1MEN1NPC1LMNAMAPT
SCHEMBL5616820 0.87 LMNA (0.43) MAPK1NPC1LMNAMAPTKMT2A
SCHEMBL2083556 0.82 HSD17B10 (0.44) MAPK1MEN1NPC1LMNAMAPT
SCHEMBL27765 0.82 MAPK1 (1.00) MAPK1MEN1NPC1LMNAMAPT
SCHEMBL5616831 0.80 L3MBTL1 (0.43) MAPK1MEN1NPC1LMNAMAPT
Ammonia Solution, Strong SCHEMBL17180526 0.80 MAPK1 (0.96) MAPK1MEN1NPC1LMNAMAPT
Methyl Alcohol SCHEMBL28098714 0.80 MAPK1 (0.96) MAPK1MEN1NPC1LMNAMAPT
Bromide SCHEMBL8031021 0.80 MAPK1 (0.96) MAPK1MEN1NPC1LMNAMAPT
Acetic Acid SCHEMBL28719519 0.78 MAPK1 (0.92) MAPK1MEN1NPC1LMNAMAPT
SCHEMBL6703081 0.77 MAPK1 (0.88) MAPK1MEN1NPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126064-A4 ELECTROACTIVE POLYMERS. CHEVRON RES (US) 1985-07-01 EP disclosed
EP-0126064-A1 ELECTROACTIVE POLYMERS CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1984-11-28 EP disclosed
WO-1984002030-A1 ELECTROACTIVE POLYMERS CHEVRON RES (US) 1984-05-24 WO disclosed