SCHEMBL2174159

SCHEMBL2174159

CNc1cccc(-c2ccc(C[C@H](OCC3CC3)C(=O)OC)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.43
ITGB3 P05106 8/20 0.39
ITGAV P06756 8/20 0.39
PDE4D Q08499 1/20 0.39
F11 P03951 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
ALB P02768 1/20 0.37
ITGA2B P08514 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MME P08473 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
SCHEMBL3146484 0.90 SRR (0.44) MGLLITGB3ITGAVALBITGA2B
SCHEMBL3146470 0.90 SRR (0.44) MGLLITGB3ITGAVALBITGA2B
SCHEMBL2176552 0.86 ITGB3 (0.44) MGLLITGB3ITGAVCYP17A1CYP11B1
SCHEMBL12406885 0.83 MGLL (0.50) MGLLITGB3ITGAVHDAC1HDAC6
SCHEMBL2177181 0.83 MGLL (0.50) MGLLITGB3ITGAVHDAC1HDAC6
SCHEMBL12406884 0.78 CYP17A1 (0.44) MGLLITGB3ITGAVCYP17A1CYP11B1
SCHEMBL2173501 0.77 HDAC1 (0.43) HDAC1HDAC6PPARGPPARA
SCHEMBL2173508 0.77 HDAC1 (0.43) HDAC1HDAC6PPARGPPARA
SCHEMBL2176885 0.76 PLG (0.40) ITGB3ITGAV
SCHEMBL2176888 0.76 PLG (0.40) ITGB3ITGAV

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-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US disclosed
EP-1742608-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARϝ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-01-17 EP disclosed
WO-2005108352-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARϜ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 WO disclosed