SCHEMBL8166399

SCHEMBL8166399

CCOCCCCCC(OC(=O)c1ccc(OC(=O)CC)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ESR1 P03372 2/20 0.42
HIF1A Q16665 2/20 0.42
RECQL P46063 1/20 0.42
ELANE P08246 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.36
SLC22A2 O15244 1/20 0.36
TMPRSS2 O15393 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
F12 P00748 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPN P05981 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
SCHEMBL8975370 0.90 KMT2A (0.50) KMT2ASMN1; SMN2ELANEL3MBTL1MEN1
SCHEMBL8979860 0.90 KMT2A (0.50) KMT2ASMN1; SMN2ELANEL3MBTL1MEN1
SCHEMBL8608162 0.87 KMT2A (0.47) KMT2ASMN1; SMN2L3MBTL1MEN1ALDH1A1
SCHEMBL8081470 0.85 NPC1 (0.41) KMT2ASMN1; SMN2ESR1MEN1SLC22A2
SCHEMBL8082906 0.85 NPC1 (0.41) KMT2ASMN1; SMN2ESR1MEN1SLC22A2
SCHEMBL8082379 0.85 ESR1 (0.42) SMN1; SMN2ESR1CYP1A2CYP2D6SLC6A2
SCHEMBL8082375 0.85 ESR1 (0.42) SMN1; SMN2ESR1CYP1A2CYP2D6SLC6A2
SCHEMBL8979680 0.85 ESR1 (0.42) SMN1; SMN2ESR1CYP1A2CYP2D6SLC6A2
SCHEMBL7750663 0.84 NPC1 (0.50) KMT2ASMN1; SMN2CYP1A2CYP2D6NFKB1
SCHEMBL7754274 0.84 NPC1 (0.50) KMT2ASMN1; SMN2CYP1A2CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792868-B1 Process for the production of phenol derivatives MITSUBISHI GAS CHEMICAL CO (JP) 2000-12-27 EP disclosed
US-5756816-A DEPROTECTING AN ESTER USING A NON-SUBSTITUTE ALKYLAMINE AS A PROTECTION-REMOVAL AGENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-05-26 US disclosed
EP-0792868-A1 Process for the production of phenol derivatives MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-09-03 EP disclosed