SCHEMBL28047696

SCHEMBL28047696

COc1cc(O)cc(O)c1C(=O)CC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.57
SYNJ2 O15056 1/20 0.51
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP19A1 P11511 1/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNA3 P22001 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL28047701 0.89 CYP3A4 (0.61) FFAR1MAPTKMT2ACYP3A4CYP2D6
SCHEMBL28047856 0.86 FFAR1 (0.56) FFAR1MEN1KMT2ACYP3A4
SCHEMBL28047758 0.84 FFAR1 (0.54) FFAR1MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL6276169 0.84 FFAR1 (0.71) FFAR1MEN1KMT2AHPGDCYP3A4
SCHEMBL28047836 0.83 FFAR1 (0.53) FFAR1MEN1KMT2ACYP3A4
SCHEMBL28968235 0.82 MAPT (0.51) SYNJ2MEN1MAPTKMT2AGAA
SCHEMBL28047801 0.81 FFAR1 (0.62) FFAR1MAPTHPGDCYP3A4CYP2D6
SCHEMBL9119401 0.80 SYNJ2 (0.54) SYNJ2MEN1MAPTKMT2AGAA
Aspidinol C SCHEMBL29761934 0.78 FASN (0.67) FFAR1MEN1KMT2ACYP3A4
SCHEMBL29664009 0.76 CYP3A4 (0.61) FFAR1MEN1MAPTKMT2AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105189446-A Phloroglucinol derivatives and application thereof in treatment of neurodegenerative disorder INST MATERIA MEDICA CAMS 2015-12-23 CN claimed
CN-105189446-A Phloroglucinol derivatives and application thereof in treatment of neurodegenerative disorder INST MATERIA MEDICA CAMS 2015-12-23 CN disclosed