SCHEMBL7742544

SCHEMBL7742544

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MMP2 P08253 5/20 0.42
MMP9 P14780 4/20 0.42
MMP12 P39900 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
MME P08473 1/20 0.38
MMEL1 Q495T6 1/20 0.38

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
SCHEMBL7742540 1.00 HPGD (0.43) HPGDNPC1RAB9ALMNAALDH1A1
SCHEMBL7742784 0.90 MMP2 (0.51) HPGDNPC1RAB9ALMNAALDH1A1
SCHEMBL7742781 0.90 MMP2 (0.51) HPGDNPC1RAB9ALMNAALDH1A1
SCHEMBL7740938 0.88 HTT (0.52) LMNAALDH1A1MMP2MMP9MMP12
SCHEMBL7740937 0.88 HTT (0.52) LMNAALDH1A1MMP2MMP9MMP12
SCHEMBL7739285 0.85 MMP2 (0.57) LMNAALDH1A1MMP2MMP9MMP12
SCHEMBL7739292 0.85 MMP2 (0.57) LMNAALDH1A1MMP2MMP9MMP12
SCHEMBL7735001 0.85 HPGD (0.44) HPGDNPC1RAB9ALMNAALDH1A1
SCHEMBL6304350 0.85 HPGD (0.44) HPGDNPC1RAB9ALMNAALDH1A1
SCHEMBL6304354 0.85 HPGD (0.44) HPGDNPC1RAB9ALMNAALDH1A1

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