SCHEMBL7163151

SCHEMBL7163151

Cn1c(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(NC(=O)c4cccnc4)cc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.55
ESRRA P11474 1/20 0.54
FFAR1 O14842 6/20 0.44
PPARA Q07869 4/20 0.44
CYP3A4 P08684 1/20 0.41
RXRA P19793 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 1/20 0.41
BRAF P15056 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MPC2 O95563 1/20 0.41

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
SCHEMBL3247554 0.94 PPARG (0.64) PPARGESRRAFFAR1PPARA
SCHEMBL7163144 0.86 PPARG (0.47) PPARGESRRAFFAR1PPARARAB9A
SCHEMBL3245448 0.86 PPARG (0.68) PPARGESRRAFFAR1PPARA
SCHEMBL3241526 0.86 PPARG (0.62) PPARGESRRAFFAR1PPARA
SCHEMBL3251550 0.85 PPARG (0.67) PPARGESRRAFFAR1PPARA
Hydrochloric Acid SCHEMBL3240711 0.85 PPARG (0.61) PPARGESRRAFFAR1PPARA
SCHEMBL3244127 0.83 PPARG (0.64) PPARGESRRAFFAR1PPARA
SCHEMBL3246549 0.83 PPARG (0.65) PPARGESRRAFFAR1PPARA
SCHEMBL6544198 0.81 PPARG (0.74) PPARGESRRAFFAR1PPARA
Hydrochloric Acid SCHEMBL6544221 0.81 PPARG (0.73) PPARGESRRAFFAR1PPARA

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
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed