SCHEMBL7112336

SCHEMBL7112336

Cc1cc(CCCCC(=O)O)ccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CYP1A2 P05177 2/20 0.51
RARB P10826 1/20 0.51
S1PR1 P21453 3/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC1 Q13547 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL7109605 0.90 RARB (0.50) MAPTRXFP1RARBS1PR1HDAC1
SCHEMBL7112337 0.83 FFAR1 (0.61) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL101148 0.82 MAPT (0.54) MAPTRXFP1CYP1A2S1PR1HDAC3
SCHEMBL31403440 0.81 RARB (0.59) RARBESR2
SCHEMBL9797528 0.80 RARB (0.62) RARBESR2
SCHEMBL5822623 0.80 DGAT1 (0.56) MAPTFFAR1ESR2
SCHEMBL9807329 0.78 ESR1 (0.52) MAPTRXFP1CYP1A2HDAC3MAPK1
SCHEMBL21415408 0.78 ESR2 (0.47) RARBESR2MMP2MMP3
SCHEMBL23512340 0.78 FFAR1 (0.49) RARBS1PR1FFAR1S1PR3S1PR5
SCHEMBL98234 0.78 CYP1A2 (0.56) MAPTRXFP1CYP1A2S1PR1HDAC3

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