SCHEMBL7644665

SCHEMBL7644665

O=C(OCc1ccccc1)C(/C=N\O)CCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAOB P27338 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7637067 0.88 TDP1 (0.42) MAPTL3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7635833 0.87 ITGB3 (0.43) MAPTL3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7639872 0.87 ITGB3 (0.43) MAPTL3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7642005 0.85 MEN1 (0.43) MAPTL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL7642021 0.85 MAPT (0.69) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7642341 0.85 TDP1 (0.46) MAPTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL7058681 0.84 CTSL (0.50) MAPTLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL7060323 0.84 CTSL (0.50) MAPTLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL7641170 0.84 MAPT (0.58) MAPTCRHBPCRHR2L3MBTL1DRD2
SCHEMBL7640930 0.82 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1ALDH1A1

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
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed