SCHEMBL5706238

SCHEMBL5706238

CCn1cc(C(=O)O)c(=O)c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
HSD17B10 Q99714 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 2/20 0.53
RAB9A P51151 1/20 0.53
DRD3 P35462 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
APEX1 P27695 1/20 0.48
PIK3CD O00329 2/20 0.48
PIK3R1 P27986 2/20 0.48
PIK3CA P42336 2/20 0.48

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
SCHEMBL31324002 0.93 ALDH1A1 (0.47) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL4086467 0.90 LMNA (0.57) KDM4EHSD17B10ALDH1A1HPGDKMT2A
SCHEMBL4768364 0.83 HSD17B10 (0.75) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL30306133 0.83 HSD17B10 (0.75) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL27763662 0.82 KDM4E (0.60) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL3973297 0.80 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL31310732 0.79 HPGD (0.45) KDM4EHSD17B10ALDH1A1HPGDKMT2A
SCHEMBL29841020 0.77 MAPT (0.45) ALDH1A1TSHRKMT2AMEN1LMNA
SCHEMBL17024931 0.77 MAPT (0.45) ALDH1A1TSHRKMT2AMEN1LMNA
SCHEMBL28697181 0.76 LMNA (0.46) KDM4EALDH1A1KMT2AMEN1LMNA

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
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed