SCHEMBL8893780

SCHEMBL8893780

[CH2]CC(=O)OCc1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP12 P39900 1/20 0.52
IDO1 P14902 2/20 0.51
MAOB P27338 5/20 0.50
HSP90AA1 P07900 1/20 0.50
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.43
CTBP2 P56545 1/20 0.43

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
SCHEMBL2535662 0.86 HSP90AA1 (0.59) MMP2MMP9MMP12IDO1MAOB
SCHEMBL11703597 0.85 MMP2 (0.54) MMP2MMP9MMP12IDO1MAOB
SCHEMBL15075277 0.83 IDO1 (0.56) MMP2MMP9MMP12IDO1MAOB
SCHEMBL3763603 0.82 IDO1 (0.58) MMP2MMP9MMP12IDO1MAOB
SCHEMBL27771970 0.82 POLB (0.54) MMP2MMP9MMP12IDO1MAOB
SCHEMBL11740293 0.82 MAOB (0.52) MMP2MMP9MMP12IDO1MAOB
SCHEMBL6903259 0.81 ALDH1A1 (0.63) MMP2MMP9MMP12IDO1MAOB
SCHEMBL4890734 0.81 THRA (0.54) MMP2MMP9MMP12IDO1MAOB
SCHEMBL23134309 0.80 L3MBTL1 (0.56) MMP2MMP9MMP12IDO1MAOB
SCHEMBL11237868 0.79 ALDH1A1 (0.61) MMP2MMP9MMP12IDO1MAOB

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed