SCHEMBL7694772

SCHEMBL7694772

CC=C(Oc1ccc(Cl)cc1C)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 1/20 0.42
ANO1 Q5XXA6 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL7801764 0.90 TSHR (0.46) TSHRHTR2AHTR2CHTR2BKDM4E
SCHEMBL7801762 0.90 TSHR (0.46) TSHRHTR2AHTR2CHTR2BKDM4E
SCHEMBL7694770 0.88 TSHR (0.44) TSHRHTR2AHTR2CHTR2BKDM4E
SCHEMBL7694769 0.88 TSHR (0.44) TSHRHTR2AHTR2CHTR2BKDM4E
SCHEMBL7795857 0.82 GAA (0.49) TSHRKDM4ETP53ALDH1A1MEN1
SCHEMBL7795862 0.82 GAA (0.49) TSHRKDM4ETP53ALDH1A1MEN1
SCHEMBL7689664 0.81 MAPT (0.50) TSHRKDM4ECYP1A2CYP2C9ALDH1A1
SCHEMBL7803823 0.80 KMT2A (0.40) TSHRKDM4ECYP1A2CYP2C9ALDH1A1
SCHEMBL13342826 0.79 TSHR (0.57) TSHRHTR2AHTR2CHTR2BKDM4E
SCHEMBL7693121 0.78 TDP1 (0.48) KDM4ECYP1A2ALDH1A1MEN1KMT2A

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
US-6337306-B1 HERBICIDES FOR AGRICULTURE RHONE-POULENC AGRO (FR) 2002-01-08 US disclosed
EP-0961766-A1 PHENOXYACETIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES Rhone Poulenc Agro (FR) 1999-12-08 EP disclosed
WO-1998034898-A1 PHENOXYACETIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRO (FR) 1998-08-13 WO disclosed