SCHEMBL7657650

SCHEMBL7657650

CCOC(=O)CC1CCc2cc(Cl)cc3[nH]c(C(=O)OC)c1c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 5/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
USP2 O75604 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 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
SCHEMBL7550297 0.88 GRIN1 (0.41) MTNR1AMTNR1BKDM4EHSD17B10HPGD
SCHEMBL7547159 0.87 MTNR1A (0.36) MTNR1AMTNR1BKDM4EHSD17B10HPGD
SCHEMBL7648683 0.75 GRIN1 (0.45) LMNAMAPK1MEN1KMT2ACYP1A2
SCHEMBL7551094 0.72 MTNR1A (0.34) MTNR1AMTNR1BKDM4EHPGDLMNA
SCHEMBL7657461 0.71 ALOX15 (0.38) KDM4EHSD17B10HPGDMAPTLMNA
SCHEMBL7547267 0.71 MTNR1A (0.32) MTNR1AMTNR1BMAPTL3MBTL1
SCHEMBL7549570 0.70 GRIN1 (0.52) KDM4EHSD17B10HPGDMAPTSMN1; SMN2
SCHEMBL7549087 0.69 SLC6A3 (0.38) KDM4EHPGDMAPTTSHRALDH1A1
SCHEMBL7546750 0.69 BRD4 (0.50) HPGDALDH1A1ALOX15MEN1KMT2A
SCHEMBL8122601 0.66 ALDH1A1 (0.48) KDM4EHSD17B10HPGDMAPTLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495587-B1 TREATING A DAMAGE TO THE CENTRAL NERVOUS SYSTEM INDUCED BY AN ISCHEMIC OR HYPOXIC CONDITION AND STROKE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-12-17 US disclosed