SCHEMBL8743247

SCHEMBL8743247

CC(O)(Cl)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
TSHR P16473 2/20 0.61
MAPK1 P28482 1/20 0.61
HIF1A Q16665 1/20 0.61
NPSR1 Q6W5P4 2/20 0.50
CYP19A1 P11511 4/20 0.46
POLB P06746 2/20 0.45
BCL2 P10415 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4297794 0.81 MEN1 (0.71) KMT2AMEN1TSHRMAPK1HIF1A
SCHEMBL26402 0.81 MEN1 (1.00) KMT2AMEN1TSHRMAPK1HIF1A
SCHEMBL1016971 0.81 KMT2A (0.71) KMT2AMEN1TSHRMAPK1HIF1A
SCHEMBL11797483 0.78 TSHR (0.67) KMT2AMEN1TSHRMAPK1HIF1A
SCHEMBL83653 0.78 MEN1 (0.59) KMT2AMEN1TSHRMAPK1HIF1A
SCHEMBL677101 0.78 MEN1 (0.59) KMT2AMEN1TSHRMAPK1HIF1A
SCHEMBL8322314 0.78 MEN1 (0.59) KMT2AMEN1TSHRMAPK1HIF1A
SCHEMBL2860836 0.77 TSHR (0.74) KMT2AMEN1TSHRMAPK1HIF1A
Phenaglycodol SCHEMBL259155 0.77 MEN1 (0.65) KMT2AMEN1TSHRMAPK1HIF1A
Dicofol SCHEMBL10811113 0.77 TSHR (0.90) KMT2AMEN1TSHRMAPK1HIF1A

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
CN-101243040-B Synthesis method of mandipropamid and derivatives thereof SYNGENTA PARTICIPATIONS AG 2012-12-05 CN disclosed
CN-101243040-A Synthesis method of mandipropamid and derivatives thereof SYNGENTA PARTICIPATIONS AG (CH) 2008-08-13 CN disclosed
US-5677168-A Enantiomeric separation of (RS)1-(4-chlorophenyl)-2-chloroethanol by lipase catalyzed hydrolysis of its acetate SYNTHELABO (FR) 1997-10-14 US disclosed