SCHEMBL6400652

SCHEMBL6400652

CCCCCN([C@@H](C)CSC(C)=O)S(=O)(=O)c1ccc(OCCCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.47
MMP2 P08253 4/20 0.44
MMP9 P14780 3/20 0.44
MMP1 P03956 3/20 0.44
MMP8 P22894 2/20 0.44
MMP13 P45452 2/20 0.44
MMP14 P50281 2/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 1/20 0.42
CA7 P43166 1/20 0.42
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 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
SCHEMBL6774286 1.00 MMP3 (0.47) MMP3MMP2MMP9MMP1MMP8
SCHEMBL6400321 1.00 MMP3 (0.47) MMP3MMP2MMP9MMP1MMP8
SCHEMBL6325041 0.86 HRH3 (0.47) MMP9MMP1MMP13LMNASMN1; SMN2
SCHEMBL6321719 0.85 HRH3 (0.48) MMP9MMP1MMP13LMNASMN1; SMN2
SCHEMBL6330947 0.84 ALDH1A1 (0.48) MMP3MMP2MMP13LMNASMN1; SMN2
SCHEMBL6324383 0.83 MMP3 (0.50) MMP3MMP2MMP9MMP1MMP8
SCHEMBL6322266 0.81 CA12 (0.48) MMP3MMP2MMP9MMP1MMP8
SCHEMBL6774290 0.76 MMP3 (0.56) MMP3MMP2MMP9MMP1MMP8
SCHEMBL6324386 0.72 MMP3 (0.60) MMP3MMP2MMP9MMP1MMP8
SCHEMBL6322271 0.72 MMP3 (0.59) MMP3MMP2MMP9MMP1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567509-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-08-31 EP disclosed
WO-2004048351-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-10 WO disclosed