SCHEMBL8948607

SCHEMBL8948607

O=C(O)c1c(F)ccc2c1OCCC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAT P04040 1/20 0.40
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PARP1 P09874 2/20 0.35
METAP2 P50579 1/20 0.34
RORC P51449 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
NOTUM Q6P988 1/20 0.32
CHRNA7 P36544 1/20 0.31
HTR3A P46098 1/20 0.31
HTR1A P08908 2/20 0.31

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
SCHEMBL18329508 0.90 PARP1 (0.44) CATALDH1A1PARP1RORCNOTUM
SCHEMBL30507834 0.79 NPC1 (0.43) CATCTNNB1WNT3AALDH1A1RORC
SCHEMBL29054687 0.79 NPC1 (0.43) CATCTNNB1WNT3AALDH1A1RORC
SCHEMBL30888655 0.76 PARP1 (0.36) ALDH1A1PARP1METAP2RORCMEN1
SCHEMBL30566393 0.75 CTNNB1 (0.34) CTNNB1WNT3APARP1HTR2AHTR2C
SCHEMBL1142545 0.75 CTNNB1 (0.34) CTNNB1WNT3APARP1HTR2AHTR2C
SCHEMBL29054677 0.75 KDM4E (0.44) CATCTNNB1WNT3AALDH1A1RORC
SCHEMBL30507841 0.75 KDM4E (0.44) CATCTNNB1WNT3AALDH1A1RORC
SCHEMBL21189493 0.74 SMN1; SMN2 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL14070891 0.73 KCNH2 (0.33) HTR2AHTR2CHTR2BHTR1A

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-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed