SCHEMBL7740628

SCHEMBL7740628

CCOCOCC(CC(COCCOC)C(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP21 Q9UK80 1/20 0.39
MAPT P10636 7/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CA2 P00918 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
SCHEMBL7740631 1.00 USP21 (0.39) USP21MAPTALDH1A1KDM4EGAA
SCHEMBL6298320 0.95 USP21 (0.40) USP21MAPTALDH1A1KDM4EGAA
SCHEMBL6298324 0.95 USP21 (0.40) USP21MAPTALDH1A1KDM4EGAA
SCHEMBL7740508 0.95 USP21 (0.40) USP21MAPTALDH1A1KDM4EGAA
SCHEMBL6298026 0.93 MAPT (0.41) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL6298024 0.93 MAPT (0.41) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL7739573 0.91 RAB9A (0.41) USP21MAPTALDH1A1KDM4EGAA
SCHEMBL7739565 0.91 RAB9A (0.41) USP21MAPTALDH1A1KDM4EGAA
SCHEMBL8117713 0.91 RAB9A (0.41) USP21MAPTALDH1A1KDM4EGAA
SCHEMBL7741099 0.89 HPGD (0.41) ALDH1A1RAB9ANPC1LMNA

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