SCHEMBL7735014

SCHEMBL7735014

CCOCOC[C@H](C[C@H](COC)C(=O)NO)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 3/20 0.40
MMP2 P08253 5/20 0.37
MMP9 P14780 4/20 0.37
MMP12 P39900 4/20 0.37
TAS1R3 Q7RTX0 4/20 0.37
TAS1R1 Q7RTX1 4/20 0.37
ALDH1A1 P00352 3/20 0.36
PPARG P37231 1/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 1/20 0.35
NAMPT P43490 1/20 0.35
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6305521 1.00 HPGD (0.43) HPGDRAB9ANPC1HTTMMP2
SCHEMBL6305524 1.00 HPGD (0.43) HPGDRAB9ANPC1HTTMMP2
SCHEMBL7741099 0.96 HPGD (0.41) HPGDRAB9ANPC1HTTMMP2
SCHEMBL7741096 0.96 HPGD (0.41) HPGDRAB9ANPC1HTTMMP2
SCHEMBL6300358 0.91 HTT (0.47) HPGDRAB9AHTTMMP2MMP9
SCHEMBL6300364 0.91 HTT (0.47) HPGDRAB9AHTTMMP2MMP9
SCHEMBL7742616 0.91 HTT (0.47) HPGDRAB9AHTTMMP2MMP9
SCHEMBL7735001 0.90 HPGD (0.44) HPGDRAB9ANPC1HTTMMP2
SCHEMBL6304350 0.90 HPGD (0.44) HPGDRAB9ANPC1HTTMMP2
SCHEMBL6304354 0.90 HPGD (0.44) HPGDRAB9ANPC1HTTMMP2

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