SCHEMBL9825372

SCHEMBL9825372

C=C(C)c1ccccc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.57
FABP4 P15090 2/20 0.57
FABP5 Q01469 2/20 0.57
MRGPRX4 Q96LA9 4/20 0.51
PTGER1 P34995 2/20 0.47
HPD P32754 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NCOA1 Q15788 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9824901 0.86 FABP3 (0.64) FABP3FABP4FABP5MRGPRX4PTGER1
SCHEMBL13690028 0.85 TP53 (0.54) FABP4FABP5MEN1KMT2ATDP1
SCHEMBL9825700 0.84 FABP3 (0.55) FABP3FABP4FABP5MRGPRX4PTGER1
SCHEMBL5839484 0.82 FABP3 (0.78) FABP3FABP4FABP5MRGPRX4PTGER1
SCHEMBL8883421 0.81 FABP3 (0.62) FABP3FABP4FABP5MRGPRX4PTGER1
SCHEMBL8882434 0.79 FABP3 (0.53) FABP3FABP4FABP5MRGPRX4PTGER1
SCHEMBL8882436 0.79 FABP3 (0.53) FABP3FABP4FABP5MRGPRX4PTGER1
SCHEMBL8881656 0.78 FABP3 (0.58) FABP3FABP4FABP5MRGPRX4PTGER1
SCHEMBL12301132 0.78 PTGER1 (0.54) FABP3FABP4FABP5MRGPRX4PTGER1
SCHEMBL9615329 0.78 FABP3 (0.57) FABP3FABP4FABP5MRGPRX4PTGER1

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