SCHEMBL5283878

SCHEMBL5283878

O=C(c1ccc(Nc2cc(OC3CC3)ncn2)cc1)C(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
LMNA P02545 1/20 0.42
CES1 P23141 1/20 0.42
EGFR P00533 5/20 0.41
ERBB3 P21860 5/20 0.41
S1PR1 P21453 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
FLT3 P36888 3/20 0.38
CDK2 P24941 1/20 0.38
CDK6 Q00534 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5283876 0.96 EGFR (0.43) CES2LMNACES1EGFRERBB3
SCHEMBL4877863 0.83 S1PR1 (0.46) EGFRERBB3S1PR1FLT3CDK2
SCHEMBL4879483 0.78 EGFR (0.49) EGFRERBB3S1PR1KDM4EFLT3
SCHEMBL5284948 0.76 FLT3 (0.41) EGFRERBB3S1PR1FLT3CDK2
SCHEMBL1983176 0.74 LMNA (0.59) CES2LMNACES1KDM4EALDH1A1
SCHEMBL1983175 0.69 LMNA (0.59) CES2LMNACES1KDM4EALDH1A1
SCHEMBL1830976 0.68 GPR119 (0.45) EGFRFLT3CDK2CDK6MEN1
Benzoin SCHEMBL8974816 0.64 CES2 (0.91) CES2LMNACES1KDM4EALDH1A1
Benzoin SCHEMBL901258 0.64 CES2 (1.00) CES2LMNACES1KDM4EALDH1A1
Benzoin SCHEMBL145 0.64 CES2 (1.00) CES2LMNACES1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794156-A2 TROMBOPOIETIN RECEPTOR AGONISTS Pfizer Products Incorporated (US) 2007-06-13 EP disclosed
WO-2006033005-A2 THROMBOPOIETIN RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2006-03-30 WO disclosed