SCHEMBL8981971

SCHEMBL8981971

CC(C)(C)c1cc(C(=O)NCCc2ccc(C[C@H]3SC(=O)NC3=O)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
MAOA P21397 2/20 0.46
CISD1 Q9NZ45 2/20 0.46
MAPT P10636 1/20 0.44
ESRRG P62508 5/20 0.44
ESRRB O95718 1/20 0.44
PPARG P37231 8/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MPC2 O95563 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
ESRRA P11474 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8981968 1.00 MAOB (0.46) MAOBMAOACISD1MAPTESRRG
SCHEMBL8981977 1.00 MAOB (0.46) MAOBMAOACISD1MAPTESRRG
SCHEMBL3247648 0.80 PPARG (0.72) PPARGESRRA
Hydrochloric Acid SCHEMBL3247615 0.80 PPARG (0.71) PPARGESRRA
SCHEMBL8981806 0.79 PPARG (0.53) MAOBMAOACISD1MAPTPPARG
SCHEMBL8981810 0.79 PPARG (0.53) MAOBMAOACISD1MAPTPPARG
SCHEMBL8981811 0.79 PPARG (0.53) MAOBMAOACISD1MAPTPPARG
SCHEMBL9178036 0.78 RAB9A (0.55) MAOACISD1MAPTPPARGALDH1A1
SCHEMBL9178031 0.78 RAB9A (0.55) MAOACISD1MAPTPPARGALDH1A1
SCHEMBL9178045 0.78 RAB9A (0.55) MAOACISD1MAPTPPARGALDH1A1

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
US-5478853-A Antidiabetic agents ADIR ET COMPAGNIE (FR) 1995-12-26 US claimed
US-5506245-A TREATMENT OF INSULIN-RESISTANT AND/OR NON INSULIN-DEPENDENT DIABETES ADIR ET COMPAGNIE (FR) 1996-04-09 US disclosed
US-5478853-A Antidiabetic agents ADIR ET COMPAGNIE (FR) 1995-12-26 US disclosed