SCHEMBL5011043

SCHEMBL5011043

CC1CC(CC(=O)c2ccc(-c3ccc(N)cc3)cc2)(C(=O)O)CCO1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.34
MMP9 P14780 6/20 0.34
MMP8 P22894 6/20 0.34
CD274 Q9NZQ7 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
AKR1B1 P15121 1/20 0.32
HPGD P15428 1/20 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
SCHEMBL1747950 0.72 CD274 (0.42) MMP2MMP9MMP8CD274L3MBTL1
SCHEMBL5009225 0.70 MMP2 (0.36) MMP2MMP9MMP8SMN1; SMN2L3MBTL1
SCHEMBL1747957 0.68 POLB (0.42) MMP2MMP9MMP8CD274
SCHEMBL5009223 0.66
Aminobenzoic Acid SCHEMBL18092766 0.63 TSHR (0.46) SMN1; SMN2MAPTHPGD
Aminobenzoic Acid SCHEMBL367762 0.63 TSHR (0.46) SMN1; SMN2MAPTHPGD
Aminobenzoic Acid SCHEMBL366997 0.63 TSHR (0.46) SMN1; SMN2MAPTHPGD
SCHEMBL4569792 0.62 MAPT (0.68) SMN1; SMN2L3MBTL1MAPTHPGD
Hydrochloric Acid SCHEMBL9981621 0.60 GRM4 (0.44)
Propylene Oxide SCHEMBL4772100 0.59 PARP10 (0.49) L3MBTL1MAPTHPGD

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-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed