SCHEMBL5839484

SCHEMBL5839484

O=C(O)c1ccccc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.78
FABP4 P15090 2/20 0.78
FABP5 Q01469 2/20 0.78
MRGPRX4 Q96LA9 6/20 0.71
TP53 P04637 1/20 0.61
HTT P42858 1/20 0.61
NR4A2 P43354 2/20 0.58
NR4A1 P22736 1/20 0.58
NR4A3 Q92570 1/20 0.58
ALDH1A1 P00352 1/20 0.57
PTGER1 P34995 2/20 0.56
HDAC8 Q9BY41 1/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL5839970 0.89 MRGPRX4 (0.67) FABP3FABP4FABP5MRGPRX4TP53
SCHEMBL5839536 0.88 FABP4 (1.00) FABP3FABP4FABP5MRGPRX4TP53
SCHEMBL9824901 0.87 FABP3 (0.64) FABP3FABP4FABP5MRGPRX4NR4A2
SCHEMBL5839914 0.85 FABP4 (0.88) FABP3FABP4FABP5MRGPRX4TP53
SCHEMBL5663405 0.85 FABP4 (0.88) FABP3FABP4FABP5MRGPRX4TP53
SCHEMBL1388155 0.85 HTT (0.77) FABP3FABP4FABP5MRGPRX4TP53
SCHEMBL8883421 0.85 FABP3 (0.62) FABP3FABP4FABP5MRGPRX4ALDH1A1
SCHEMBL3806442 0.83 MRGPRX4 (0.71) FABP3FABP4FABP5MRGPRX4TP53
SCHEMBL22480892 0.83 MRGPRX4 (1.00) FABP3FABP4FABP5MRGPRX4TP53
SCHEMBL3983385 0.83 TP53 (0.74) FABP3FABP4FABP5MRGPRX4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 US disclosed
US-5677465-A FUNGICIDE, HERBICIDE, PLANT GROWTH REGULATOR SHIONOGI & CO., LTD. (JP) 1997-10-14 US disclosed
US-5466661-A Benzaldehyde oxime derivatives, production and use thereof SHIONOGI & CO., LTD. (JP) 1995-11-14 US disclosed
EP-0633252-A1 Benzaldehyde oxime derivatives, production and use thereof SHIONOGI & CO., LTD. (JP) 1995-01-11 EP disclosed