SCHEMBL7301892

SCHEMBL7301892

CCOC(=O)CCCCOc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.57
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
MAPT P10636 3/20 0.54
ALDH1A1 P00352 1/20 0.54
HRH2 P25021 1/20 0.53
HRH1 P35367 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
MMP2 P08253 2/20 0.52
LTA4H P09960 6/20 0.51
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
BRD4 O60885 1/20 0.48
FFAR1 O14842 1/20 0.47
PDK2 Q15119 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5522757 0.99 HDAC1 (0.58) MMP3HDAC1HDAC2MAPTALDH1A1
SCHEMBL6336869 0.99 HDAC1 (0.58) MMP3HDAC1HDAC2MAPTALDH1A1
SCHEMBL6328916 0.95 MAPT (0.55) MMP3HDAC1HDAC2MAPTALDH1A1
SCHEMBL8409925 0.95 HDAC1 (0.64) MMP3HDAC1HDAC2MAPTALDH1A1
SCHEMBL7778508 0.95 HDAC1 (0.64) MMP3HDAC1HDAC2MAPTALDH1A1
4-Cyanophenol SCHEMBL8994006 0.95 MMP3 (0.52) MMP3HDAC1HDAC2MAPTALDH1A1
SCHEMBL7717977 0.92 PPARD (0.50) MMP3HDAC1HDAC2MAPTALDH1A1
SCHEMBL7717973 0.92 PPARD (0.50) MMP3HDAC1HDAC2MAPTALDH1A1
SCHEMBL1285929 0.92 MMP2 (0.61) MMP3HDAC1HDAC2MAPTALDH1A1
SCHEMBL1285386 0.92 MMP2 (0.61) MMP3HDAC1HDAC2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed
US-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
CN-1138322-A 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 1996-12-18 CN disclosed
US-5574016-A Peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-12 US disclosed
EP-0513675-B1 New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-09-11 EP disclosed
EP-0513675-A1 New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed