SCHEMBL7742634

SCHEMBL7742634

CCOCOC[C@H](C[C@H](COCCOC)C(=O)NO)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAS1R3 Q7RTX0 5/20 0.35
TAS1R1 Q7RTX1 5/20 0.35
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
MMP12 P39900 4/20 0.35
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
PPARG P37231 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7742629 1.00 HTT (0.44) HTTPOLBLMNAMAPK1SMN1; SMN2
SCHEMBL7742616 0.95 HTT (0.47) HTTPOLBLMNAMAPK1SMN1; SMN2
SCHEMBL6300364 0.95 HTT (0.47) HTTPOLBLMNAMAPK1SMN1; SMN2
SCHEMBL6300358 0.95 HTT (0.47) HTTPOLBLMNAMAPK1SMN1; SMN2
SCHEMBL7741099 0.92 HPGD (0.41) HTTLMNATAS1R3TAS1R1MMP2
SCHEMBL7741096 0.92 HPGD (0.41) HTTLMNATAS1R3TAS1R1MMP2
SCHEMBL7734999 0.90 HTT (0.46) HTTPOLBLMNAMAPK1SMN1; SMN2
SCHEMBL7735005 0.90 HTT (0.46) HTTPOLBLMNAMAPK1SMN1; SMN2
SCHEMBL7735014 0.88 HPGD (0.43) HTTLMNATAS1R3TAS1R1MMP2
SCHEMBL7740891 0.88 HTT (0.48) HTTPOLBLMNAMAPK1SMN1; 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