SCHEMBL6933729

SCHEMBL6933729

CC(C(=O)Oc1ccc(C#N)cc1)c1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.43
GSK3B P49841 1/20 0.42
FFAR1 O14842 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CNR1 P21554 1/20 0.41
F2 P00734 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA1D P25100 3/20 0.40
KCNA5 P22460 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA1A P35348 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR4 Q5NUL3 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
SCHEMBL28122440 0.92 MGLL (0.50) MGLLGSK3BCNR1MEN1KMT2A
SCHEMBL3937797 0.82 PTGS1 (0.56) GSK3BCNR1KMT2AADRA1DKCNA5
SCHEMBL28319350 0.81 GSK3B (0.45) MGLLGSK3BCNR1ADRA1DKCNA5
SCHEMBL17077541 0.80 PDCD1 (0.50) GSK3BFFAR1CNR1
SCHEMBL1990381 0.77 PTGS1 (0.54) GSK3BCNR1ALDH1A1MAPTADRA1D
SCHEMBL934609 0.76 ADRA1D (0.50) GSK3BCNR1ADRA1DADRA2BADRA1A
SCHEMBL2411847 0.76 ADRA1D (0.47) GSK3BCNR1ADRA1DADRA2BADRA1A
SCHEMBL27773499 0.75 MGLL (0.58) MGLLGSK3B
SCHEMBL5014648 0.74 PARP15 (0.47) MGLLF2MEN1ALDH1A1MAPT
SCHEMBL19441077 0.74 MGLL (0.47) MGLLF2MEN1ALDH1A1MAPT

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
CN-1190441-C Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2005-02-23 CN disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed