SCHEMBL5283876

SCHEMBL5283876

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.43
ERBB3 P21860 4/20 0.43
LMNA P02545 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
S1PR1 P21453 1/20 0.39
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
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL5283878 0.96 CES2 (0.42) EGFRERBB3LMNACES2CES1
SCHEMBL4877863 0.81 S1PR1 (0.46) EGFRERBB3ABL1BCRS1PR1
SCHEMBL4879483 0.76 EGFR (0.49) EGFRERBB3ABL1BCRS1PR1
SCHEMBL5284948 0.74 FLT3 (0.41) EGFRERBB3ABL1BCRS1PR1
SCHEMBL1983175 0.74 LMNA (0.59) LMNACES2CES1NPC1RAB9A
SCHEMBL1983176 0.69 LMNA (0.59) LMNACES2CES1CYP2C9
SCHEMBL1830976 0.68 GPR119 (0.45) EGFRFLT3CDK2CDK6MEN1
Benzoin SCHEMBL8974816 0.64 CES2 (0.91) LMNACES2CES1NPC1RAB9A
Benzoin SCHEMBL2025536 0.64 CES2 (1.00) LMNACES2CES1
Benzoin SCHEMBL901258 0.64 CES2 (1.00) LMNACES2CES1

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