SCHEMBL28047693

SCHEMBL28047693

CC(C)CC(=O)c1c(O)cc(O)cc1OCc1cccc(-c2cnon2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.38
MAOB P27338 1/20 0.36
FFAR1 O14842 3/20 0.35
CFD P00746 1/20 0.34
F11 P03951 1/20 0.34
TPSB2 P20231 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL28047685 0.75 CA12 (0.44) FFAR1
SCHEMBL28047758 0.72 FFAR1 (0.54) FFAR1
SCHEMBL28047723 0.70 CA12 (0.40) FFAR1
SCHEMBL28047696 0.67 FFAR1 (0.57) FFAR1
SCHEMBL28047856 0.66 FFAR1 (0.56) FFAR1
SCHEMBL28047740 0.65 PRKCI (0.49)
SCHEMBL6276169 0.65 FFAR1 (0.71) FFAR1
SCHEMBL28047836 0.64 FFAR1 (0.53) FFAR1
SCHEMBL4830146 0.63 HSD17B1 (0.58)
SCHEMBL28047865 0.63 IDO1 (0.36) PPARGPPARA

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