SCHEMBL8524317

SCHEMBL8524317

O=C1SC(OCCn2ccc3ccccc32)C(=O)N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
PPARG P37231 1/20 0.44
POLB P06746 1/20 0.42
CDK4 P11802 4/20 0.41
CCND1 P24385 4/20 0.41
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HTR6 P50406 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL8523431 0.77 POLB (0.37) POLBMAPTTHRBGAALMNA
SCHEMBL3774754 0.75 MAPT (0.50) POLBMAPTTHRBGAAKMT2A
SCHEMBL6032173 0.74 MAPT (0.54) POLBMAPTTHRBGAAKMT2A
SCHEMBL8523856 0.72 ALDH1A1 (0.44) POLBCDK4CCND1MAPTTHRB
SCHEMBL8523889 0.71 POLB (0.47) POLBMAPTTHRBGAAKMT2A
SCHEMBL7469304 0.71 POLB (0.55) POLBMAPTTHRBGAAKMT2A
SCHEMBL8524315 0.71 FFAR1 (0.53) FFAR1PPARGCDK4CCND1HSD17B10
SCHEMBL8576961 0.71 POLB (0.38) POLBMAPTTHRBGAAKMT2A
SCHEMBL8471742 0.70 MAPT (0.41) POLBMAPTTHRBGAALMNA
SCHEMBL8576587 0.70 POLB (0.39) POLBMAPTTHRBGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US claimed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed