SCHEMBL7459526

SCHEMBL7459526

CO/C=C(\C(=O)O)c1ccccc1CBr

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 2/20 0.33
FOLH1 Q04609 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL5080478 1.00 ALDH1A1 (0.39) ALDH1A1LMNACA12CA1CA2
SCHEMBL3459410 1.00 ALDH1A1 (0.39) ALDH1A1LMNACA12CA1CA2
SCHEMBL1263085 0.86 ALDH1A1 (0.41) ALDH1A1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL5257837 0.86 ALDH1A1 (0.41) ALDH1A1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL29437612 0.86 ALDH1A1 (0.41) ALDH1A1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL5257839 0.86 ALDH1A1 (0.41) ALDH1A1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL7658118 0.86 HPGD (0.44) ALDH1A1LMNACA12CA1CA2
SCHEMBL7658115 0.86 HPGD (0.44) ALDH1A1LMNACA12CA1CA2
SCHEMBL9490817 0.85 ALDH1A1 (0.37) ALDH1A1LMNACA12CA1CA2
SCHEMBL9490813 0.85 ALDH1A1 (0.37) ALDH1A1LMNACA12CA1CA2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565180-A2 ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Oscotec Inc. (KR) 2013-03-06 EP disclosed
US-6465457-B1 CONTROLLING PATHOGENS ON PLANTS OR SEEDS ZENECA LIMITED (GB) 2002-10-15 US disclosed
EP-0811614-B1 Benzyloxy substituted aromatics and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2002-09-25 EP disclosed
EP-0711759-B1 Pyridazinones and their use as fungicides DOW AGROSCIENCES LLC (US) 2002-01-09 EP disclosed
US-5990161-A PESTICIDES, FUNGICIDES AND INSECTICIDES FOR KILLING ANTHROPODS; PLANT PROTECTION; CROPS; CONTROLLING RHONE-POULENC AGROCHIMIE (FR) 1999-11-23 US disclosed
US-5939563-A FUNGICIDES ZENECA LIMITED (GB) 1999-08-17 US disclosed
US-5935961-A COMPOUNDS SUCH AS N-METHYL 2-(2-(6'-(3?,4?-DICHLOROPHENYL)-PYRIDAZIN-3'-ON-2'YL)-METHYLPHENYL)-2 -METHOXYIMINOACETAMIDE USEFUL AGAINST POWDERY MILDEW, BLIGHT IN CUCUMBERS, TOMATOES, AND WHEAT FOR EXAMPLE ROHM AND HAAS COMPANY (US) 1999-08-10 US disclosed
US-5919825-A PLANT SAFENING AGENT; INSECTICIDES; FUNGICIDES RHONE-POULENC AGROCHIMIE (FR) 1999-07-06 US disclosed
US-5886015-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS OF THE SEED, PLANT OR SOIL ROHM AND HAAS COMPANY (US) 1999-03-23 US disclosed
US-5777162-A Intermediates for the preparation of fungicides ZENECA LIMITED (GB) 1998-07-07 US disclosed
US-5432197-A Insecticidal, miticidal ZENECA LIMITED (GB) 1995-07-11 US disclosed
US-5371084-A Insecticides and miticides ZENECA LIMITED (GB) 1994-12-06 US disclosed
US-5371268-A Ortho-substituted benzyl esters of cyclopropanecarboxylic acids BASF AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
EP-0586393-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1994-03-16 EP disclosed
WO-1993007116-A1 FUNGICIDES ZENECA LIMITED (GB) 1993-04-15 WO disclosed
EP-0532022-A1 Acrylate compound, preparation process thereof and fungicide using the same UBE INDUSTRIES, LTD. (JP) 1993-03-17 EP disclosed
WO-1992018487-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1992-10-29 WO disclosed
US-5055471-A FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-08 US disclosed
US-5021581-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 US disclosed
US-4822908-A Substituted acrylates and fungicides containing same BASF AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed