SCHEMBL7848700

SCHEMBL7848700

CCOC(=O)CC1(CC(=O)OCC)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 6/20 0.43
TRPA1 O75762 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 2/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
CACNA2D1 P54289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36

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
SCHEMBL4577419 0.98 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7848701 0.92 ALDH1A1 (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29127308 0.91 CYP1A2 (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31252127 0.88 ALDH1A1 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11417985 0.88 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16753659 0.88 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16877111 0.88 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL466295 0.87 ALDH1A1 (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6092530 0.87 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL6578159 0.85 ALDH1A1 (0.55) GAAMGAMSIMGAM2ALDH1A1

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
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 EP disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 WO disclosed