SCHEMBL4772501

SCHEMBL4772501

CCOC(=O)CC(=O)NCC(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MMP8 P22894 1/20 0.44
GAA P10253 1/20 0.44
CASR P41180 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
PPID Q08752 1/20 0.43
MDM4 O15151 1/20 0.42
LMNA P02545 1/20 0.42
MDM2 Q00987 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ASAH1 Q13510 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4768337 0.91 MMP8 (0.48) CYP3A4CYP2D6CYP2C19TSHRSMN1; SMN2
SCHEMBL28491869 0.84 SMN1; SMN2 (0.51) TSHRSMN1; SMN2MMP8GAACASR
SCHEMBL9911026 0.79 TSHR (0.51) CYP3A4CYP2D6CYP2C19TSHRSMN1; SMN2
SCHEMBL4333359 0.78 CYP2C19 (0.52) CYP2D6CYP2C19SMN1; SMN2ALDH1A1LMNA
SCHEMBL28290228 0.78 CYP2C19 (0.52) CYP2D6CYP2C19SMN1; SMN2ALDH1A1LMNA
SCHEMBL21331938 0.77 ALOX15 (0.46) TSHRSMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL7509646 0.77 CYP2C19 (0.47) CYP2D6CYP2C19SMN1; SMN2ALDH1A1ASAH1
Hydrochloric Acid SCHEMBL7137164 0.76 MMP2 (0.47) CYP3A4CYP2D6CYP2C19SMN1; SMN2MMP8
SCHEMBL640978 0.75 MTNR1A (0.58) CYP2C19SMN1; SMN2
SCHEMBL5435795 0.75 MTNR1A (0.58) CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660085-B1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-10-15 EP disclosed
EP-1660475-B1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP disclosed
EP-1660085-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-05-31 EP disclosed
EP-1660475-A1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-05-31 EP disclosed
WO-2005013986-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 WO disclosed
WO-2005014572-A1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 WO disclosed