SCHEMBL9643228

SCHEMBL9643228

Fc1ccc(/C=C\C=C(/c2ccc(C(F)(F)F)cc2)C2CC2)cc1Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.34
MAPK14 Q16539 2/20 0.34
CYP1A1 P04798 3/20 0.33
CYP1B1 Q16678 3/20 0.33
MAOB P27338 2/20 0.33
CHEK2 O96017 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PTGS1 P23219 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NQO2 P16083 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
IGFBP3 P17936 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL9643233 1.00 CXCL12 (0.34) CXCL12MAPK14CYP1A1CYP1B1MAOB
SCHEMBL10466636 0.89 FFAR4 (0.34) MAPK14PARP10
SCHEMBL10466635 0.89 FFAR4 (0.34) MAPK14PARP10
SCHEMBL9540404 0.89 LMNA (0.36) CXCL12PARP10PTGDR2
SCHEMBL9540399 0.89 LMNA (0.36) CXCL12PARP10PTGDR2
SCHEMBL6934678 0.81 CXCL12 (0.38) CXCL12MAPK14CYP1A1CYP1B1MAOB
SCHEMBL6934681 0.81 CXCL12 (0.38) CXCL12MAPK14CYP1A1CYP1B1MAOB
SCHEMBL9642455 0.73 ALOX5 (0.40) MEN1KMT2APTGS1
SCHEMBL9642457 0.73 ALOX5 (0.40) MEN1KMT2APTGS1
SCHEMBL9494663 0.72 PARP10 (0.36) MAPK14MEN1KMT2APARP10FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357610-B1 INSECTICIDAL CYCLOPROPYL-SUBSTITUTED DI(ARYL) COMPOUNDS FMC Corporation (US) 1992-09-16 EP disclosed
EP-0357610-A1 INSECTICIDAL CYCLOPROPYL-SUBSTITUTED DI(ARYL) COMPOUNDS. FMC CORP (US) 1990-03-14 EP disclosed
US-4808762-A Insecticidal cyclopropyl-substituted di(aryl) compounds FMC CORPORATION (US) 1989-02-28 US disclosed
WO-1988008416-A1 INSECTICIDAL CYCLOPROPYL-SUBSTITUTED DI(ARYL) COMPOUNDS FMC CORPORATION (US) 1988-11-03 WO disclosed