SCHEMBL6927636

SCHEMBL6927636

CCOc1c(Cl)c(C)c(C(=O)O)c(OCC)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IKBKB O14920 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
NPC1 O15118 1/20 0.33
ABL1 P00519 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RIN1 Q13671 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5587976 0.79 DPP4 (0.35) ALDH1A1THRBKDM4EHPGDHSD17B10
SCHEMBL27977844 0.79 ALDH1A1 (0.42) ALDH1A1THRBKDM4EHPGDHSD17B10
SCHEMBL24488780 0.78 ALDH1A1 (0.39) ALDH1A1THRBHPGDHSD17B10LMNA
SCHEMBL27303224 0.75 HTT (0.44) ALDH1A1THRBKDM4EHPGDHSD17B10
SCHEMBL29065578 0.72 THRB (0.41) ALDH1A1THRBKDM4EHPGDHSD17B10
SCHEMBL22490898 0.71 PDE4D (0.45) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL5588041 0.71 THRB (0.37) ALDH1A1THRBKDM4EHPGDHSD17B10
SCHEMBL14736337 0.71 TSHR (0.41) ALDH1A1THRBKDM4EHPGDHSD17B10
SCHEMBL29836145 0.71 TSHR (0.41) ALDH1A1THRBKDM4EHPGDHSD17B10
SCHEMBL6928988 0.69 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDLMNARAB9A

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-1363924-A1 AVILAMYCIN DERIVATIVES Combinature Biopharm AG (DE) 2003-11-26 EP disclosed
WO-2002068436-A1 AVILAMYCIN DERIVATIVES COMBINATURE BIOPHARM AG (DE) 2002-09-06 WO disclosed