SCHEMBL28047686

SCHEMBL28047686

COc1cc(OC)c(CNC(Cc2ccc(O)cc2)C(=O)O)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
MME P08473 3/20 0.47
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
FOLH1 Q04609 1/20 0.44
CD274 Q9NZQ7 3/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL28047681 1.00 PTPN1 (0.49) PTPN1MMEALDH1A1ALOX15FOLH1
SCHEMBL28047718 0.90 PTPN1 (0.61) PTPN1ALDH1A1ALOX15CD274
SCHEMBL28047720 0.90 PTPN1 (0.61) PTPN1ALDH1A1ALOX15CD274
SCHEMBL28047692 0.84 PTPN1 (0.60) PTPN1ALDH1A1ALOX15
SCHEMBL28047694 0.84 PTPN1 (0.60) PTPN1ALDH1A1ALOX15
SCHEMBL28047785 0.80 CD274 (0.55) PTPN1CD274
SCHEMBL28047787 0.80 CD274 (0.55) PTPN1CD274
SCHEMBL28047714 0.79 PTPN1 (0.49) PTPN1CD274
SCHEMBL28047709 0.79 PTPN1 (0.49) PTPN1CD274
1,3,5-Trimethoxybenzene SCHEMBL27988490 0.79 FOLH1 (0.50) MMEFOLH1ACECPA1ACE2

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