SCHEMBL7742567

SCHEMBL7742567

CC(c1ccccc1)N(C)C(=O)COC(CCNC(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
GPR139 Q6DWJ6 1/20 0.46
EPHX2 P34913 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
UTS2R Q9UKP6 6/20 0.40
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7741011 0.91 TMEM97 (0.43) TMEM97SIGMAR1GPR139EPHX2RAB9A
SCHEMBL7741193 0.85 TMEM97 (0.47) TMEM97SIGMAR1RAB9ASMN1; SMN2NPC1
SCHEMBL7741141 0.84 SIGMAR1 (0.56) TMEM97SIGMAR1RAB9ASMN1; SMN2NPC1
SCHEMBL7742570 0.82 TMEM97 (0.57) TMEM97SIGMAR1RAB9ASMN1; SMN2NPC1
SCHEMBL7741023 0.77 TMEM97 (0.45) TMEM97SIGMAR1RAB9ASMN1; SMN2NPC1
SCHEMBL7740225 0.76 SIGMAR1 (0.54) TMEM97SIGMAR1RAB9ASMN1; SMN2NPC1
SCHEMBL7742614 0.75 SIGMAR1 (0.53) TMEM97SIGMAR1RAB9ASMN1; SMN2NPC1
SCHEMBL7741018 0.74 TMEM97 (0.54) TMEM97SIGMAR1RAB9ASMN1; SMN2NPC1
SCHEMBL4618812 0.73 EPHX2 (0.79) GPR139EPHX2SLC6A9SLC6A5KDM4E
SCHEMBL7740202 0.73 NPC1 (0.50) TMEM97SIGMAR1EPHX2RAB9ASMN1; SMN2

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 3 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
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