SCHEMBL5287833

SCHEMBL5287833

NC(=O)N1CCC(CCNC(=O)COCc2ccc(F)cc2)C(CCc2ccc3c(c2)OCO3)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 2/20 0.36
MCHR2 Q969V1 2/20 0.36
MCHR1 Q99705 2/20 0.36
CYP3A4 P08684 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
SCHEMBL6038173 0.81 LMNA (0.45) LMNAHSD17B10HPGDKMT2AMEN1
SCHEMBL5280644 0.74 TPSAB1 (0.35) LMNAHSD17B10KMT2AMEN1MAPT
SCHEMBL6037996 0.71 LMNA (0.53) LMNAHSD17B10HPGDKMT2AMEN1
SCHEMBL5285824 0.71 CHRM2 (0.35) ALDH1A1
SCHEMBL25220163 0.70 L3MBTL1 (0.45) LMNAHSD17B10KMT2AMEN1RAB9A
SCHEMBL6038031 0.69 HTR2A (0.47) LMNAHSD17B10HPGDKMT2AMEN1
SCHEMBL6038028 0.69 LMNA (0.48) LMNAHSD17B10HPGDGAAKMT2A
SCHEMBL30446010 0.67 L3MBTL1 (0.44) LMNARAB9AMAPTTHRBL3MBTL1
SCHEMBL5276612 0.66 MAPT (0.50) LMNAHPGDKMT2AMEN1RAB9A
SCHEMBL6038152 0.66 MAPT (0.49) LMNAGAAKMT2ASMN1; SMN2RAB9A

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
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed