SCHEMBL9445027

SCHEMBL9445027

Cc1ccc(COc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.52
SLC6A4 P31645 7/20 0.52
KCNH2 Q12809 4/20 0.52
HSP90AA1 P07900 1/20 0.45
MRGPRX4 Q96LA9 5/20 0.44
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MAOB P27338 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 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
SCHEMBL13047045 0.87 MRGPRX4 (0.52) HTR2ASLC6A4KCNH2MRGPRX4NPC1
SCHEMBL9445005 0.86 PPARA (0.44) HTR2ASLC6A4KCNH2MRGPRX4PPARG
SCHEMBL9644707 0.83 HTR2A (0.42) HTR2ASLC6A4KCNH2HSP90AA1MRGPRX4
SCHEMBL13929749 0.82 MRGPRX4 (0.58) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9468315 0.81 L3MBTL1 (0.50) MRGPRX4SMN1; SMN2TDP1MAOBFFAR1
SCHEMBL257844 0.79 HSP90AA1 (0.57) HTR2ASLC6A4KCNH2HSP90AA1TDP1
SCHEMBL13047783 0.78 FFAR1 (0.46) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9357918 0.78 MAPK14 (0.38) HTR2ASLC6A4KCNH2NPC1HPGD
SCHEMBL9119277 0.78 MRGPRX4 (0.43) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9353840 0.78 MAOB (0.47) HTR2ASLC6A4KCNH2MRGPRX4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4230230-A None JP disclosed
EP-0488236-B1 AROMATIC COMPOUNDS, THEIR PRODUCTION PROCESSES AND THEIR COMPOSITIONS FOR THE CONTROL OF INSECT PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-10-13 EP disclosed
US-5250574-A Halogen substituted phenoxy phenols SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1993-10-05 US disclosed
JP-H04230230-A AROMATIC COMPOUND, PRODUCTION THEREOF AND HARMFUL ORGANISM CONTROLLER COMPRISING THE SAME COMPOUND AS ACTIVE INGREDIENT SUMITOMO CHEM CO LTD 1992-08-19 JP disclosed
EP-0488236-A1 Aromatic compounds, their production processes and their compositions for the control of insect pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-03 EP disclosed