SCHEMBL10567241

SCHEMBL10567241

C=C(OC(=C)c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
PTPN1 P18031 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
PTBP1 P26599 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.37
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35

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
SCHEMBL18809216 0.86 SMN1; SMN2 (0.41) CES2CES1MAOAMAOBCA1
SCHEMBL18400815 0.83 MAOA (0.40) CES2CES1MAOAMAOBCA1
SCHEMBL19262505 0.81 SMN1; SMN2 (0.38) CES2CES1MAOAMAOBCA1
SCHEMBL21013602 0.80 MAOA (0.45) CES2CES1MAOAMAOBCA1
SCHEMBL18937205 0.80 MAOA (0.38) CES2CES1MAOAMAOBPTPN1
SCHEMBL13984127 0.78 MAOA (0.37) CES2CES1MAOAMAOBNPC1
SCHEMBL18809600 0.75 LMNA (0.38) MAOAMAOBLMNAPTBP1SMN1; SMN2
SCHEMBL18432036 0.75 LMNA (0.38) CES2CES1MAOAMAOBNPC1
SCHEMBL18808881 0.75 SMN1; SMN2 (0.36) CES2CES1MAOAMAOBLMNA
SCHEMBL18809051 0.75 MAOB (0.35) MAOAMAOBLMNAPTBP1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4876275-A 3,4-dihydro-2H-pyrans useful as pesticides BASF AKTIENGESELLSCHAFT (DE) 1989-10-24 US disclosed