SCHEMBL28210404

SCHEMBL28210404

CCCCCCCCCCCCCCC(CCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.55
MMP3 P08254 3/20 0.55
PTGES O14684 4/20 0.53
ALOX5 P09917 4/20 0.53
PPARG P37231 4/20 0.53
GRIK1 P39086 2/20 0.51
CNR2 P34972 1/20 0.50
CPB2 Q96IY4 1/20 0.49
S1PR2 O95136 1/20 0.49
S1PR1 P21453 1/20 0.49
CETP P11597 1/20 0.49
GRIK2 Q13002 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
SCHEMBL8905851 1.00 MMP2 (0.55) MMP2MMP3PTGESALOX5PPARG
SCHEMBL1716640 1.00 MMP2 (0.55) MMP2MMP3PTGESALOX5PPARG
SCHEMBL7077500 1.00 MMP2 (0.55) MMP2MMP3PTGESALOX5PPARG
SCHEMBL8905261 1.00 MMP2 (0.55) MMP2MMP3PTGESALOX5PPARG
SCHEMBL8904812 0.98 MMP2 (0.56) MMP2MMP3PTGESALOX5PPARG
SCHEMBL28407243 0.94 MMP2 (0.56) MMP2MMP3PTGESALOX5PPARG
SCHEMBL10869949 0.94 GRIK1 (0.55) PTGESALOX5PPARGGRIK1CPB2
SCHEMBL355603 0.94 GRIK1 (0.55) PTGESALOX5PPARGGRIK1CPB2
SCHEMBL8904462 0.94 GRIK1 (0.59) MMP2MMP3PTGESALOX5PPARG
SCHEMBL5385323 0.94 GRIK1 (0.55) PTGESALOX5PPARGGRIK1CPB2

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
CN-102727406-B Composition of the extract containing bermuda lily and application thereof 强生消费者公司 2018-03-30 CN disclosed