SCHEMBL6686919

SCHEMBL6686919

O=C(NCCC[C@H]1CC[C@H](C(=O)O)CC1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
TGM2 P21980 1/20 0.52
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP7 Q9UHL4 2/20 0.46

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
SCHEMBL7328492 1.00 ALDH1A1 (0.61) ALDH1A1GAAHTTSMN1; SMN2LMNA
SCHEMBL8393267 0.94 HTT (0.65) ALDH1A1GAAHTTSMN1; SMN2LMNA
SCHEMBL8395610 0.88 HTT (0.62) ALDH1A1HTTSMN1; SMN2LMNATGM2
SCHEMBL8392818 0.88 HTT (0.62) ALDH1A1GAAHTTSMN1; SMN2LMNA
SCHEMBL8392487 0.87 MEN1 (0.62) ALDH1A1HTTSMN1; SMN2LMNATGM2
SCHEMBL8395472 0.87 MEN1 (0.62) ALDH1A1HTTSMN1; SMN2LMNATGM2
SCHEMBL8396587 0.85 LMNA (0.63) ALDH1A1GAAHTTSMN1; SMN2LMNA
SCHEMBL30500863 0.85 HTT (0.58) GAAHTTSMN1; SMN2LMNATGM2
SCHEMBL594857 0.84 ALDH1A1 (0.67) ALDH1A1GAAHTTSMN1; SMN2LMNA
SCHEMBL594858 0.84 ALDH1A1 (0.67) ALDH1A1GAAHTTSMN1; SMN2LMNA

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-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP claimed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO claimed
EP-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP disclosed
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO disclosed
WO-2004062666-A2 USE OF RHO-KINASE INHIBITORRS FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA UNIVERSITY COLLEGE LONDON (GB) 2004-07-29 WO disclosed