SCHEMBL7739854

SCHEMBL7739854

CCOCOC[C@H](C[C@H](COCc1ccccc1)C(=O)NO)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MMP9 P14780 5/20 0.39
MMP2 P08253 5/20 0.39
MMP12 P39900 4/20 0.39
MMP14 P50281 1/20 0.37
CTSS P25774 1/20 0.37
PIN1 Q13526 1/20 0.37
TACR1 P25103 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SLC1A1 P43005 1/20 0.36
CNR1 P21554 1/20 0.36
CTSL P07711 1/20 0.36
PPARG P37231 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL7739847 1.00 HTT (0.42) HTTNPC1RAB9AMMP9MMP2
SCHEMBL7740367 0.92 KMT2A (0.42) NPC1RAB9AMMP9MMP2MMP12
SCHEMBL7740365 0.92 KMT2A (0.42) NPC1RAB9AMMP9MMP2MMP12
SCHEMBL7739358 0.92 SLC1A1 (0.46) HTTNPC1RAB9APIN1KDM4E
SCHEMBL7739357 0.92 SLC1A1 (0.46) HTTNPC1RAB9APIN1KDM4E
SCHEMBL7740127 0.91 HTT (0.44) HTTNPC1RAB9AMMP9MMP2
SCHEMBL7740130 0.91 HTT (0.44) HTTNPC1RAB9AMMP9MMP2
SCHEMBL7740185 0.88 NPC1 (0.46) NPC1RAB9AMMP9MMP2MMP12
SCHEMBL7740187 0.88 NPC1 (0.46) NPC1RAB9AMMP9MMP2MMP12
SCHEMBL6300358 0.86 HTT (0.47) HTTRAB9AMMP9MMP2MMP12

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