SCHEMBL7742570

SCHEMBL7742570

CN(CCc1ccccc1)C(=O)COC(CCNC(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.57
SIGMAR1 Q99720 6/20 0.57
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MAPT P10636 3/20 0.46
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
ALDH1A1 P00352 1/20 0.44
FABP2 P12104 1/20 0.44
PPARD Q03181 1/20 0.44
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GFER P55789 1/20 0.41
ACHE P22303 1/20 0.41
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL7741018 0.92 TMEM97 (0.54) TMEM97SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL7741141 0.90 SIGMAR1 (0.56) TMEM97SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL7741193 0.84 TMEM97 (0.47) TMEM97SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL8123573 0.83 TMEM97 (0.56) TMEM97SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL7740225 0.82 SIGMAR1 (0.54) TMEM97SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL7742567 0.82 TMEM97 (0.46) TMEM97SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL7742614 0.82 SIGMAR1 (0.53) TMEM97SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL8123580 0.80 TMEM97 (0.56) TMEM97SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL8115911 0.77 SIGMAR1 (0.54) TMEM97SIGMAR1ACHE
SCHEMBL7740202 0.76 NPC1 (0.50) TMEM97SIGMAR1NPC1RAB9ASMN1; 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 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