SCHEMBL2217319

SCHEMBL2217319

CCCCCC(CC(=O)NC)Cc1ccc(Br)s1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MMP2 P08253 14/20 0.36
MMP3 P08254 9/20 0.36
MMP1 P03956 9/20 0.36
MMP7 P09237 6/20 0.36
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC4 P56524 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
MMP9 P14780 2/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL28501428 0.81 LMNA (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18694159 0.81 LMNA (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1750307 0.79 MMP2 (0.44) MMP2MMP3MMP1MMP7HDAC3
SCHEMBL28212515 0.75 ALDH1A1 (0.37)
SCHEMBL13003351 0.73 LMNA (0.43) POLBMMP2MMP3MMP1MMP7
SCHEMBL29765636 0.70 LMNA (0.45) POLBMMP2MMP3MMP1MMP7
SCHEMBL27926938 0.70 LMNA (0.43)
SCHEMBL18782959 0.68 LMNA (0.42)
SCHEMBL15260455 0.68 PTGER2 (0.44) POLB
SCHEMBL19526474 0.68 PTGER2 (0.44) POLB

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-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 EP disclosed
EP-1638964-A1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-03-29 EP disclosed
WO-2004113331-A1 NOVEL COMPOUNDS THAT MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-29 WO disclosed