SCHEMBL6558583

SCHEMBL6558583

Cc1cc(Cl)ccc1-c1c(O)c(C)c(-c2ccc(F)cc2)oc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 2/20 0.38
TP53 P04637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
NOTUM Q6P988 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 1/20 0.37
MAPT P10636 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL6558585 0.90 ESR1 (0.45) PTGS2ESR1ESR2KDM4ERAB9A
SCHEMBL8172593 0.83 ESR1 (0.44) PTGS2ESR1ESR2KDM4ERAB9A
SCHEMBL7219386 0.76 MAPT (0.46) PTGS2TP53KDM4ESMN1; SMN2MAPT
SCHEMBL6948407 0.76 MAOA (0.40) ESR1ESR2TP53KDM4ERAB9A
SCHEMBL7098191 0.74 MAOA (0.41) KDM4EMAOAMAOBGAAALDH1A1
SCHEMBL810958 0.73 CYP17A1 (0.41) ESR1ESR2KDM4EMAOAMAOB
SCHEMBL9883927 0.73 CNR2 (0.39) PTGS2MAPTABCB1ACHEBACE1
SCHEMBL6560778 0.71 MAOA (0.40) ESR1ESR2KDM4ERAB9ANPC1
SCHEMBL6208131 0.71 CYP17A1 (0.39) KDM4EMAOAMAOB
SCHEMBL8476247 0.66 CSNK2A2 (0.46) PTGS2TP53KDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123003-B1 UTILIZATION OF 3-PHENYL-PYRONES FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2004-03-17 EP disclosed
EP-1119559-B1 3-PHENYL-PYRONES BAYER CROPSCIENCE AG (DE) 2003-11-26 EP disclosed
US-6472350-B1 Utilization of 3-phenyl-pyrones for pest control BAYER AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed
US-6441030-B1 PESTICIDES, FUNGICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
EP-1123003-A1 UTILIZATION OF 3-PHENYL-PYRONES FOR PEST CONTROL Bayer Aktiengesellschaft (DE) 2001-08-16 EP disclosed
WO-2000024256-A1 UTILIZATION OF 3-PHENYL-PYRONES FOR PEST CONTROL BAYER AKTIENGESELLSCHAFT (DE) 2000-05-04 WO disclosed