SCHEMBL7995941

SCHEMBL7995941

CCOc1cc(CCC(=O)O)ccc1OC.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.60
FFAR1 O14842 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.55
APP P05067 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CALM1 P0DP23 3/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
TSHR P16473 1/20 0.50
PLA2G4A P47712 1/20 0.49

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
SCHEMBL3673329 0.98 FFAR4 (0.61) FFAR4FFAR1L3MBTL1APPMEN1
SCHEMBL3690496 0.93 CALM1 (0.60) FFAR4FFAR1APPMEN1KMT2A
SCHEMBL2840795 0.91 FFAR4 (0.55) FFAR4FFAR1L3MBTL1APPMEN1
SCHEMBL28323456 0.90 L3MBTL1 (0.54) FFAR4FFAR1L3MBTL1APPMEN1
SCHEMBL347209 0.88 FFAR4 (0.61) FFAR4FFAR1MEN1KMT2APLA2G4A
SCHEMBL8501979 0.87 MAPK1 (0.54) L3MBTL1APPMEN1KMT2ACALM1
SCHEMBL5607847 0.87 CALM1 (0.56) L3MBTL1APPCALM1HDAC1HDAC2
Hydrochloric Acid SCHEMBL3225386 0.86 FFAR4 (0.59) FFAR4FFAR1MEN1KMT2APLA2G4A
SCHEMBL21494459 0.85 PDE4D (0.59) L3MBTL1MEN1KMT2ACALM1HDAC1
SCHEMBL7995937 0.84 L3MBTL1 (0.51) FFAR4FFAR1L3MBTL1APPMEN1

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-6075041-A TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 2000-06-13 US disclosed