SCHEMBL7740189

SCHEMBL7740189

CCOCOCC(CC(CCOc1cccc(OC)c1)C(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
AHR P35869 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL7740193 1.00 MEN1 (0.44) MEN1KMT2AL3MBTL1NPC1TAS1R3
SCHEMBL7741144 0.91 NPC1 (0.43) MEN1KMT2AL3MBTL1NPC1TAS1R3
SCHEMBL7741142 0.91 NPC1 (0.43) MEN1KMT2AL3MBTL1NPC1TAS1R3
SCHEMBL7739385 0.88 ALDH1A1 (0.41) MEN1KMT2ANPC1TAS1R3TAS1R1
SCHEMBL7739381 0.88 ALDH1A1 (0.41) MEN1KMT2ANPC1TAS1R3TAS1R1
SCHEMBL6298324 0.84 USP21 (0.40) MEN1KMT2AL3MBTL1NPC1MAPT
SCHEMBL7740508 0.84 USP21 (0.40) MEN1KMT2AL3MBTL1NPC1MAPT
SCHEMBL6298320 0.84 USP21 (0.40) MEN1KMT2AL3MBTL1NPC1MAPT
SCHEMBL6298024 0.82 MAPT (0.41) MEN1KMT2AL3MBTL1NPC1MAPT
SCHEMBL6298026 0.82 MAPT (0.41) MEN1KMT2AL3MBTL1NPC1MAPT

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