SCHEMBL7743872

SCHEMBL7743872

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.40
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
TAS1R3 Q7RTX0 4/20 0.36
TAS1R1 Q7RTX1 4/20 0.36
HSP90AA1 P07900 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CA12 O43570 1/20 0.34
MMP2 P08253 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 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
SCHEMBL7743871 1.00 HPGD (0.42) HPGDRAB9ANPC1HTTALDH1A1
SCHEMBL7735001 0.96 HPGD (0.44) HPGDRAB9ANPC1HTTALDH1A1
SCHEMBL6304350 0.96 HPGD (0.44) HPGDRAB9ANPC1HTTALDH1A1
SCHEMBL6304354 0.96 HPGD (0.44) HPGDRAB9ANPC1HTTALDH1A1
SCHEMBL7734999 0.91 HTT (0.46) HPGDHTTLMNATAS1R3TAS1R1
SCHEMBL7735005 0.91 HTT (0.46) HPGDHTTLMNATAS1R3TAS1R1
SCHEMBL7741099 0.91 HPGD (0.41) HPGDRAB9ANPC1HTTALDH1A1
SCHEMBL7741096 0.91 HPGD (0.41) HPGDRAB9ANPC1HTTALDH1A1
SCHEMBL8117713 0.87 RAB9A (0.41) RAB9ANPC1ALDH1A1LMNAKMT2A
SCHEMBL7739573 0.87 RAB9A (0.41) RAB9ANPC1ALDH1A1LMNAKMT2A

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