SCHEMBL8405377

SCHEMBL8405377

Cc1cc(Cl)ccc1OCC#CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MRGPRX4 Q96LA9 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48

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
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL9006428 0.87 TDP1 (0.53) LMNAKDM4EMAPTCYP1A2CYP2C9
SCHEMBL3434867 0.78 KDM4E (0.50) LMNAKDM4EMRGPRX4MAPTCYP1A2
Metaxon SCHEMBL117877 0.76 TDP1 (0.70) LMNAKDM4EMAPTCYP1A2CYP2C9
SCHEMBL11739981 0.76 KDM4E (0.63) LMNAKDM4EMRGPRX4MAPTCYP1A2
Metaxon SCHEMBL27765431 0.75 TDP1 (0.68) LMNAKDM4EMAPTCYP1A2CYP2C9
Metaxon SCHEMBL27616565 0.75 TDP1 (0.68) LMNAKDM4EMAPTCYP1A2CYP2C9
Metaxon SCHEMBL3533162 0.75 TDP1 (0.68) LMNAKDM4EMAPTCYP1A2CYP2C9
Metaxon SCHEMBL18221951 0.75 TDP1 (0.68) LMNAKDM4EMAPTCYP1A2CYP2C9
Metaxon SCHEMBL28800416 0.75 TDP1 (0.68) LMNAKDM4EMAPTCYP1A2CYP2C9
SCHEMBL11031302 0.74 MEN1 (0.48) LMNAKDM4EMRGPRX4MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735820-B1 HERBICIDAL DIPHENYL ETHER AND NITROGEN SOLUTION COMPOSITIONS AND METHOD ZENECA LTD (GB) 1999-06-23 EP disclosed
WO-1992019107-A1 HERBICIDAL SUBSTITUTED CYCLOHEXANEDIONE AND NITROGEN FERTILISER COMPOSITIONS AND METHOD ZENECA LIMITED (GB) 1992-11-12 WO disclosed