SCHEMBL10923045

SCHEMBL10923045

CCCc1ccc(-c2ccc(C(C)=O)cc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.56
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
HSD17B1 P14061 2/20 0.44
KMT2A Q03164 1/20 0.43
KIF11 P52732 1/20 0.42
MPL P40238 2/20 0.41
PLK1 P53350 1/20 0.41
PTGS1 P23219 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL10921540 0.92 RARB (0.64) RARBMAOBMAOAKMT2AMPL
SCHEMBL10919580 0.90 RARB (0.70) RARBKMT2AMPL
SCHEMBL10922495 0.89 RARB (0.73) RARBKMT2A
SCHEMBL10918630 0.89 RARB (0.73) RARBKMT2A
SCHEMBL10920791 0.89 RARB (0.73) RARBKMT2A
SCHEMBL10919359 0.89 RARB (0.73) RARBKMT2A
SCHEMBL10922911 0.89 RARB (0.73) RARBKMT2A
SCHEMBL15797758 0.88 RARB (0.67) RARBKMT2AMPLNPC1RAB9A
SCHEMBL10922772 0.88 RARB (0.52) RARBMAOBMAOAHSD17B1KMT2A
SCHEMBL10924018 0.87 RARB (0.55) RARBMPLPLK1NPC1GAA

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-0088907-B1 HALOGEN BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 1985-10-16 EP disclosed
US-4544771-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-10-01 US disclosed
US-4505838-A Halogenobiphenyl derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-03-19 US disclosed
EP-0088907-A1 Halogen biphenyl derivatives MERCK PATENT GmbH (DE) 1983-09-21 EP disclosed