SCHEMBL7918527

SCHEMBL7918527

CC(C)(C=C(F)CO)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPSR1 Q6W5P4 3/20 0.39
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
POLB P06746 1/20 0.35
MIF P14174 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
BCL2 P10415 1/20 0.33
CYP19A1 P11511 1/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7918526 1.00 KMT2A (0.44) KMT2AMEN1NPSR1MAPK1TSHR
SCHEMBL7924191 0.84 KMT2A (0.42) KMT2AMEN1NPSR1MAPK1TSHR
SCHEMBL7924196 0.84 KMT2A (0.42) KMT2AMEN1NPSR1MAPK1TSHR
SCHEMBL8321000 0.77 MAOB (0.43) LMNA
SCHEMBL8319363 0.77 NQO1 (0.44) TSHRSMN1; SMN2LMNA
SCHEMBL8319360 0.77 NQO1 (0.44) TSHRSMN1; SMN2LMNA
SCHEMBL8320991 0.77 MAOB (0.43) LMNA
SCHEMBL8319358 0.77 GRIN2D (0.40) KMT2AMEN1MAPK1TSHRPOLB
SCHEMBL8319359 0.77 GRIN2D (0.40) KMT2AMEN1MAPK1TSHRPOLB
SCHEMBL11044678 0.75 MEN1 (0.52) KMT2AMEN1NPSR1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811596-B1 Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds BASF AG (DE) 2001-07-25 EP disclosed
US-6262319-B1 BROMINATION OF THE CORRESPONDING ALCOHOL COMPOUND AMERICAN CYANAMID CO. 2001-07-17 US disclosed
US-5892131-A Process for the preparation of pesticidal fluoroolefin compounds AMERICAN CYANAMID COMPANY (US) 1999-04-06 US disclosed
US-5880162-A INSECTICIDES FOR SOIL BORNE INSECT PESTS BRITISH TECHNOLOGY GROUP, LTD. (GB) 1999-03-09 US disclosed
EP-0811596-A1 Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds American Cyanamid Company (US) 1997-12-10 EP disclosed
CN-1147242-A Pesticidal fluoroolefins BRITISH TECH GROUP LTD (GB) 1997-04-09 CN disclosed
EP-0757668-A1 PESTICIDAL FLUOROOLEFINS British Technology Group Ltd. (GB) 1997-02-12 EP disclosed
WO-1995029887-A1 PESTICIDAL FLUOROOLEFINS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-09 WO disclosed