SCHEMBL8580658

SCHEMBL8580658

Cl[CH]c1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
AHR P35869 2/20 0.46
TP53 P04637 1/20 0.46
NPFFR2 Q9Y5X5 2/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CHAT P28329 1/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PYGL P06737 3/20 0.41
IGF1R P08069 1/20 0.41
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
NPC1 O15118 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL10973255 0.80 ALDH1A1 (0.64) ALDH1A1AHRTP53NPFFR2KMT2A
SCHEMBL10973260 0.80 ALDH1A1 (0.64) ALDH1A1AHRTP53NPFFR2KMT2A
SCHEMBL3298582 0.80 ALDH1A1 (0.64) ALDH1A1AHRTP53NPFFR2KMT2A
SCHEMBL9720849 0.78 CHAT (0.67) ALDH1A1AHRTP53NPFFR2KMT2A
SCHEMBL9720852 0.78 CHAT (0.67) ALDH1A1AHRTP53NPFFR2KMT2A
SCHEMBL48577 0.76 ALDH1A1 (1.00) ALDH1A1AHRTP53NPFFR2KMT2A
SCHEMBL11038275 0.76 ALDH1A1 (0.58) ALDH1A1AHRTP53NPFFR2KMT2A
SCHEMBL131757 0.76 ALDH1A1 (0.58) ALDH1A1AHRTP53NPFFR2KMT2A
SCHEMBL14890 0.76 ALDH1A1 (0.58) ALDH1A1AHRTP53NPFFR2KMT2A
SCHEMBL11123079 0.76 ALDH1A1 (0.58) ALDH1A1AHRTP53NPFFR2KMT2A

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
US-5770683-A Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0710684-A2 Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-08 EP disclosed