SCHEMBL7742592

SCHEMBL7742592

CCOCOCC(CC(C)C(=O)NO)N(C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP12 P39900 3/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7742596 1.00 NPC1 (0.36) NPC1HPGDRAB9AMMP2MMP9
SCHEMBL7740140 0.89 HDAC3 (0.37) NPC1HPGDRAB9AALDH1A1
SCHEMBL7740144 0.89 HDAC3 (0.37) NPC1HPGDRAB9AALDH1A1
SCHEMBL7739829 0.87 ADRB2 (0.37) ALDH1A1
SCHEMBL7739823 0.87 ADRB2 (0.37) ALDH1A1
SCHEMBL7740666 0.81 MMP2 (0.40) MMP2MMP9MMP12
SCHEMBL7740669 0.81 MMP2 (0.40) MMP2MMP9MMP12
SCHEMBL6300644 0.78 MAPT (0.36) NPC1RAB9AALDH1A1
SCHEMBL7740916 0.78 HSD17B2 (0.39) HPGDMMP2MMP9ALDH1A1
SCHEMBL7740919 0.78 HSD17B2 (0.39) HPGDMMP2MMP9ALDH1A1

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