SCHEMBL4081365

SCHEMBL4081365

Cc1ccc(OC(N)[C@@H](C)O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
HTR1A P08908 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ACHE P22303 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4072010 1.00 TSHR (0.38) TSHRHTR2AHTR2CHTR2BPABPC1
SCHEMBL4069876 0.83 ABL1 (0.40) TSHRL3MBTL1TDP1ALDH1A1MEN1
SCHEMBL10359314 0.81 HTR2B (0.42) TSHRHTR2AHTR2CHTR2BPABPC1
SCHEMBL4080507 0.80 USP2 (0.43) TP53ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL4071169 0.78 ALOX15 (0.44) TSHRHTR2AHTR2CHTR2BL3MBTL1
SCHEMBL8280908 0.77 FFAR4 (0.43) TSHRHTR2AHTR2CHTR2BPABPC1
SCHEMBL3466564 0.77 ACHE (0.43) TSHRHTR2AHTR2CHTR2BPABPC1
SCHEMBL4072440 0.76 MAPT (0.35) ALDH1A1GAAMAPT
SCHEMBL9032996 0.73 ACHE (0.40) TSHRHTR2AHTR2CHTR2BPABPC1
SCHEMBL17816443 0.73 ACHE (0.40) TSHRHTR2AHTR2CHTR2BPABPC1

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-2066673-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2009-06-10 EP disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed