SCHEMBL9824901

SCHEMBL9824901

CC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.64
FABP4 P15090 2/20 0.64
FABP5 Q01469 2/20 0.64
MRGPRX4 Q96LA9 4/20 0.58
MAPT P10636 1/20 0.52
PTGER1 P34995 2/20 0.52
HDAC8 Q9BY41 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
ADRB2 P07550 1/20 0.51
MEN1 O00255 1/20 0.51
CYP2D6 P10635 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NR4A2 P43354 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SGMS2 Q8NHU3 1/20 0.50

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
SCHEMBL5839484 0.87 FABP3 (0.78) FABP3FABP4FABP5MRGPRX4PTGER1
SCHEMBL8883421 0.86 FABP3 (0.62) FABP3FABP4FABP5MRGPRX4PTGER1
SCHEMBL9825372 0.86 FABP3 (0.57) FABP3FABP4FABP5MRGPRX4MAPT
SCHEMBL8278415 0.85 TP53 (0.61) FABP4FABP5HDAC8MEN1KMT2A
SCHEMBL8881656 0.83 FABP3 (0.58) FABP3FABP4FABP5MRGPRX4MAPT
SCHEMBL8882436 0.79 FABP3 (0.53) FABP3FABP4FABP5MRGPRX4MAPT
SCHEMBL8882434 0.79 FABP3 (0.53) FABP3FABP4FABP5MRGPRX4MAPT
SCHEMBL5839536 0.78 FABP4 (1.00) FABP3FABP4FABP5MRGPRX4MAPT
SCHEMBL9825700 0.78 FABP3 (0.55) FABP3FABP4FABP5MRGPRX4MAPT
SCHEMBL12301132 0.78 PTGER1 (0.54) FABP3FABP4FABP5MRGPRX4MAPT

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-0255243-B1 AZOLE DERIVATIVES USEFUL FOR CONTROLLING PLANT DISEASES SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-05-29 EP disclosed
US-4780471-A IMIDAZOLE OR TRIAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1988-10-25 US disclosed
EP-0255243-A1 Azole derivatives useful for controlling plant diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1988-02-03 EP disclosed