SCHEMBL3938490

SCHEMBL3938490

O=C(O)[C@@H]1CCCN1Cc1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.50
ADRA1D P25100 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
CD274 Q9NZQ7 7/20 0.48
PDCD1 Q15116 4/20 0.48
SPHK1 Q9NYA1 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CCR4 P51679 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3938487 1.00 CYP1A2 (0.51) CYP1A2CYP2C19ADRA1DADRA1AADRA1B
SCHEMBL3559410 0.84 KDM4E (0.57) CD274PDCD1SMN1; SMN2MEN1KMT2A
SCHEMBL20294468 0.84 CD274 (0.55) CD274PDCD1SMN1; SMN2
SCHEMBL20294470 0.84 CD274 (0.55) CD274PDCD1SMN1; SMN2
SCHEMBL2035950 0.83 IDO1 (0.53) CYP1A2CYP2C19IDO1TDO2CD274
SCHEMBL188635 0.83 IDO1 (0.53) CYP1A2CYP2C19IDO1TDO2CD274
SCHEMBL107960 0.83 ERCC1 (0.60) CYP2C19SMN1; SMN2CCR4
SCHEMBL19933192 0.83 SMN1; SMN2 (0.52) CD274PDCD1SMN1; SMN2MEN1KMT2A
SCHEMBL145365 0.83 ERCC1 (0.60) CYP2C19SMN1; SMN2CCR4
SCHEMBL1817651 0.82 GRM5 (0.57) CYP1A2CYP2C19CD274PDCD1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017848-A9 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC (US) 2009-04-30 WO claimed
WO-2009017848-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC. (US) 2009-02-05 WO claimed
WO-2008154083-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES PROTEO TECH INC. (US) 2008-12-18 WO claimed
EP-1511710-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER S DISEASE, TYPE 2 DIABETES, AND PARKINSON S DISEASE PROTEOTECH INC (US) 2013-11-20 EP disclosed
WO-2008097692-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES PROTEOTECH INC. (US) 2008-08-14 WO disclosed