SCHEMBL7109610

SCHEMBL7109610

Cc1ccccc1-c1ccc(CCCCC(=O)Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.48
HDAC2 Q92769 3/20 0.46
HDAC1 Q13547 2/20 0.44
MME P08473 1/20 0.43
MGLL Q99685 3/20 0.43
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 3/20 0.43
HDAC3 O15379 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LTB4R2 Q9NPC1 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
ALOX5 P09917 1/20 0.41
LPAR1 Q92633 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
SCHEMBL7112573 0.85 HTR7 (0.57) FFAR1FFAR4
SCHEMBL7109605 0.84 RARB (0.50) RARBHDAC2HDAC1MGLLFFAR1
SCHEMBL934360 0.82 MME (0.45) RARBHDAC2HDAC1MMEMGLL
SCHEMBL1510067 0.78 FFAR1 (0.66) MMEFFAR1FFAR4
SCHEMBL7312177 0.77 IGF1R (0.50) HDAC2HDAC1FFAR1HDAC3MAPT
SCHEMBL384438 0.77 MAPT (0.68) HDAC2HDAC1HDAC3MAPTRXFP1
O-Xylene SCHEMBL28360945 0.77 ALDH1A1 (0.48) HDAC2HDAC1HDAC3MAPTHDAC8
Bromide SCHEMBL28392437 0.76 HSD11B1 (0.54) RARBMAPT
SCHEMBL4609289 0.76 RARB (0.57) RARBMAPT
SCHEMBL11693764 0.76 FFAR1 (0.61) HDAC2HDAC1MGLLFFAR1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047665-B1 MATRIX METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-10-22 EP disclosed
US-6350907-B1 PEPTIDE ENZYME INHIBITORS PFIZER INC 2002-02-26 US disclosed
EP-1047665-A1 MATRIX METALLOPROTEASE INHIBITORS Pfizer Limited (GB) 2000-11-02 EP disclosed
WO-1999035124-A1 MATRIX METALLOPROTEASE INHIBITORS PFIZER LIMITED (GB) 1999-07-15 WO disclosed