SCHEMBL6556699

SCHEMBL6556699

CN(C(=O)OC(C)(C)C)c1ccc(C(c2ccc(N(C)C(=O)OC(C)(C)C)cc2)c2cc([N+](=O)[O-])ccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MCL1 Q07820 1/20 0.39
HSD11B1 P28845 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL380709 0.81 ALDH1A1 (0.57) MAPTCYP1A2CYP3A4TSHRMAPK1
SCHEMBL30054040 0.80 MAPT (0.68) MAPTCYP1A2CYP3A4TSHRMAPK1
SCHEMBL6556764 0.80 MAPT (0.68) MAPTCYP1A2CYP3A4TSHRMAPK1
SCHEMBL6556773 0.77 MAPT (0.62) MAPTCYP1A2CYP3A4TSHRMAPK1
SCHEMBL30839701 0.77 ALDH1A1 (0.45) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL6556733 0.76 GAA (0.43) MAPTCYP1A2CYP3A4TSHRMAPK1
SCHEMBL6556887 0.76 MAPT (0.61) MAPTCYP1A2CYP3A4TSHRMAPK1
SCHEMBL6557168 0.75 ALDH1A1 (0.47) MAPTCYP1A2CYP3A4TSHRMAPK1
SCHEMBL6556822 0.74 MAPT (0.41) MAPTCYP1A2CYP3A4TSHRMAPK1
SCHEMBL18157812 0.74 RORC (0.41) MAPTCYP1A2CYP3A4TSHRMAPK1

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-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP claimed
US-6166013-A Glucocortiocoid-selective agents ABBOTT LABORATORIES (US) 2000-12-26 US disclosed