SCHEMBL7739358

SCHEMBL7739358

CCOCOC[C@H](C[C@H](COCc1ccccc1)C(=O)O)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.46
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MME P08473 2/20 0.40
PPARG P37231 2/20 0.39
EPHX2 P34913 1/20 0.39
PIN1 Q13526 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CTSL P07711 1/20 0.38
PTPN1 P18031 1/20 0.38
CNR1 P21554 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7739357 1.00 SLC1A1 (0.46) SLC1A1HTTNPC1RAB9AMME
SCHEMBL7739847 0.92 HTT (0.42) SLC1A1HTTNPC1RAB9APPARG
SCHEMBL7739854 0.92 HTT (0.42) SLC1A1HTTNPC1RAB9APPARG
SCHEMBL7741226 0.90 SLC1A1 (0.46) SLC1A1NPC1RAB9APPARGPIN1
SCHEMBL7741228 0.90 SLC1A1 (0.46) SLC1A1NPC1RAB9APPARGPIN1
SCHEMBL7741112 0.87 NPC1 (0.48) SLC1A1NPC1RAB9AKDM4EGAA
SCHEMBL7741115 0.87 NPC1 (0.48) SLC1A1NPC1RAB9AKDM4EGAA
SCHEMBL7739744 0.87 HTT (0.49) HTTRAB9AMMEPPARGEPHX2
SCHEMBL6299559 0.87 HTT (0.49) HTTRAB9AMMEPPARGEPHX2
SCHEMBL6299563 0.87 HTT (0.49) HTTRAB9AMMEPPARGEPHX2

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