SCHEMBL7740225

SCHEMBL7740225

COC(=O)C(CCNC(=O)c1ccc(Cl)cc1)OCC(=O)N(C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.54
TMEM97 Q5BJF2 6/20 0.54
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ACHE P22303 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CXCR3 P49682 1/20 0.41

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
SCHEMBL7741141 0.92 SIGMAR1 (0.56) SIGMAR1TMEM97KMT2AMEN1ALDH1A1
SCHEMBL7742614 0.89 SIGMAR1 (0.53) SIGMAR1TMEM97KMT2AMEN1ALDH1A1
SCHEMBL7742570 0.82 TMEM97 (0.57) SIGMAR1TMEM97ALDH1A1ACHERAB9A
SCHEMBL7740350 0.82 CYP1A2 (0.47) SIGMAR1TMEM97KMT2AMEN1ALDH1A1
SCHEMBL7741018 0.80 TMEM97 (0.54) SIGMAR1TMEM97KMT2AMEN1ALDH1A1
SCHEMBL7741193 0.80 TMEM97 (0.47) SIGMAR1TMEM97KMT2AMEN1ALDH1A1
SCHEMBL7741023 0.77 TMEM97 (0.45) SIGMAR1TMEM97KMT2AMEN1ALDH1A1
SCHEMBL8115911 0.77 SIGMAR1 (0.54) SIGMAR1TMEM97KMT2AACHEHTT
SCHEMBL7742567 0.76 TMEM97 (0.46) SIGMAR1TMEM97KMT2AMEN1KDM4E
SCHEMBL7739615 0.75 MEN1 (0.43) KMT2AMEN1ALDH1A1HPGDNPC1

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 2 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 disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed