SCHEMBL5669686

SCHEMBL5669686

CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)cc1O)C(F)(F)F.Cc1cc(C(=O)c2ccccc2)ccc1NC(=O)C(C)(O)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 15/20 0.67
ABCC8 Q09428 15/20 0.67
KCNJ11 Q14654 15/20 0.67
KCNJ8 Q15842 15/20 0.67
PDK1 Q15118 6/20 0.53
PDK2 Q15119 6/20 0.53
PDK3 Q15120 6/20 0.53
PDK4 Q16654 6/20 0.53
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
ABCB11 O95342 1/20 0.47

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
SCHEMBL4608774 0.86 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4609784 0.82 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5549859 0.82 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4608254 0.80 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4608257 0.80 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4608961 0.80 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4608827 0.75 PDK1 (0.72) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4608829 0.75 PDK1 (0.72) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4609128 0.74 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4609272 0.72 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730310-A2 A FORMULATION FOR INCREASING ENDOGENOUS ADIPONECTIN AND LEPTIN PRODUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-12-13 EP claimed
US-20050261362-A1 Method of increasing endogenous adiponectin and leptin production THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-11-24 US claimed
WO-2005092040-A2 A FORMULATION FOR INCREASING ENDOGENOUS ADIPONECTIN AND LEPTIN PRODUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-06 WO claimed