SCHEMBL7734802

SCHEMBL7734802

CCOCOCC(CC(COC)C(=O)NO)NC(=O)c1ccc(Br)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ESR1 P03372 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
SCHEMBL7734808 1.00 ALDH1A1 (0.37) ALDH1A1L3MBTL1LMNATSHRKMT2A
SCHEMBL7740122 0.87 MAPT (0.40) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL7740119 0.87 MAPT (0.40) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL7740934 0.86 LMNA (0.39) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL7740928 0.86 LMNA (0.39) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL7740504 0.83 ANPEP (0.39) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL7740506 0.83 ANPEP (0.39) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL6305524 0.82 HPGD (0.43) ALDH1A1LMNAKMT2AHPGDNPC1
SCHEMBL7735014 0.82 HPGD (0.43) ALDH1A1LMNAKMT2AHPGDNPC1
SCHEMBL6305521 0.82 HPGD (0.43) ALDH1A1LMNAKMT2AHPGDNPC1

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 2 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