SCHEMBL7740314

SCHEMBL7740314

CCOCOCC(CC(C)C(=O)O)N(C)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 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
SCHEMBL7740317 1.00 ALDH1A1 (0.39) ALDH1A1CRHBPCRHR2ADRB2ADRB1
SCHEMBL7739823 0.89 ADRB2 (0.37) ALDH1A1CRHBPCRHR2ADRB2ADRB1
SCHEMBL7739829 0.89 ADRB2 (0.37) ALDH1A1CRHBPCRHR2ADRB2ADRB1
SCHEMBL6304329 0.89 CRHBP (0.37) ALDH1A1CRHBPCRHR2ADRB2ADRB1
SCHEMBL6304332 0.87 CRHBP (0.37) ALDH1A1CRHBPCRHR2ADRB2ADRB1
SCHEMBL6304323 0.87 CRHBP (0.37) ALDH1A1CRHBPCRHR2ADRB2ADRB1
SCHEMBL7740144 0.85 HDAC3 (0.37) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7740140 0.85 HDAC3 (0.37) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6304326 0.83 ALDH1A1 (0.37) ALDH1A1CRHBPCRHR2ADRB2ADRB1
SCHEMBL7740164 0.79 CRHBP (0.43) ALDH1A1CRHBPCRHR2SMN1; SMN2L3MBTL1

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-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed