SCHEMBL5760347

SCHEMBL5760347

CN(Cc1cc(-c2ccccc2)ccc1CC1SC(=O)NC1=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.47
CA2 P00918 1/20 0.45
PPARG P37231 7/20 0.42
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MAOA P21397 2/20 0.40
CISD1 Q9NZ45 2/20 0.40
LIPG Q9Y5X9 1/20 0.40
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTPN1 P18031 1/20 0.38
MAPT P10636 1/20 0.38
RARG P13631 1/20 0.38
RXRA P19793 1/20 0.38

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
SCHEMBL27599883 0.87 FFAR1 (0.44) FFAR1CA2PPARGPIM3PIM2
SCHEMBL6992217 0.86 PPARG (0.41) FFAR1CA2PPARGALDH1A1
SCHEMBL6986558 0.85 FFAR1 (0.41) FFAR1CA2PPARGPIM3PIM2
SCHEMBL7523244 0.83 FFAR1 (0.43) FFAR1CA2PPARGPTPN1
SCHEMBL27599885 0.83 FFAR1 (0.39) FFAR1CA2PPARGPIM3PIM2
SCHEMBL6183019 0.83 FFAR1 (0.47) FFAR1CA2PPARGPIM3PIM2
SCHEMBL5383045 0.83 FFAR1 (0.41) FFAR1CA2PPARGPIM3PIM2
SCHEMBL1128669 0.82 FFAR1 (0.49) FFAR1CA2PPARGPIM3PIM2
SCHEMBL5399580 0.82 FFAR1 (0.61) FFAR1PPARGMAOACISD1ALDH1A1
SCHEMBL5761010 0.82 CA2 (0.49) FFAR1CA2PPARGALDH1A1PTPN1

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
EP-1458697-B1 BIPHENYLMETHYL-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE AS PPAR-GAMMA ACTIVATORS GALDERMA RES & DEV (FR) 2006-09-06 EP disclosed