SCHEMBL7739440

SCHEMBL7739440

CCOCOCC(CC(C)C(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 7/20 0.43
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.37
PKM P14618 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 4/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KCNMA1 Q12791 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL7739445 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL7740998 0.84 MMP2 (0.47) ALDH1A1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL7740992 0.84 MMP2 (0.47) ALDH1A1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL7741307 0.83 ATM (0.48) ALDH1A1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL7741303 0.83 ATM (0.48) ALDH1A1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL7742527 0.82 AR (0.41) ALDH1A1KMT2AHTTMAPTMEN1
SCHEMBL7742529 0.82 AR (0.41) ALDH1A1KMT2AHTTMAPTMEN1
SCHEMBL7741132 0.81 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2MAPTTDP1HPGD
SCHEMBL7741135 0.81 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2MAPTTDP1HPGD
SCHEMBL7735029 0.76 ALDH1A1 (0.41) ALDH1A1KMT2AHTTSMN1; SMN2MAPT

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