SCHEMBL7740914

SCHEMBL7740914

C[C@@H](C[C@@H](COC1CC(=O)NC1=O)N(C)C(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
HPGD P15428 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MMP8 P22894 1/20 0.33
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL7740918 0.78 OPRK1 (0.38) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7742500 0.77 CRHBP (0.42) SMN1; SMN2ALDH1A1MMP2MMP9MMP8
SCHEMBL7742502 0.77 CRHBP (0.42) SMN1; SMN2ALDH1A1MMP2MMP9MMP8
SCHEMBL7739829 0.77 ADRB2 (0.37) SMN1; SMN2ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL7739823 0.77 ADRB2 (0.37) SMN1; SMN2ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL6300649 0.76 ADRB2 (0.35) SMN1; SMN2ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL6300641 0.76 ADRB2 (0.35) SMN1; SMN2ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL6300643 0.74 ADRB2 (0.35) SMN1; SMN2ALDH1A1MMP2MMP9ADRB2
SCHEMBL6300644 0.74 MAPT (0.36) SMN1; SMN2ALDH1A1KMT2AMEN1ADRB2
SCHEMBL7740164 0.73 CRHBP (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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