SCHEMBL9102505

SCHEMBL9102505

COc1cc(OC)cc(C(=O)N(NC(C)(C)C)C(=O)c2cccc(C)c2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 4/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
P2RX7 Q99572 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL17416606 0.84 ABCB1 (0.56) ABCB1NPC1RAB9A
SCHEMBL7067587 0.79 ABCB1 (0.64) ABCB1NPC1RAB9A
SCHEMBL5062430 0.78 ABCB1 (0.65) ABCB1
SCHEMBL17416630 0.75 ABCB1 (0.46) ABCB1MAPK1TSHRNPC1RAB9A
SCHEMBL9104050 0.75 ABCB1 (0.48) ABCB1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9099071 0.72 ABCB1 (0.53) ABCB1NPC1RAB9A
SCHEMBL9099193 0.71 ABCB1 (0.49) ABCB1
SCHEMBL17416625 0.71 ABCB1 (0.52) ABCB1NPC1RAB9A
SCHEMBL2482845 0.70 ABCB1 (0.51) ABCB1NPC1RAB9A
SCHEMBL5210577 0.69 CHRNA1 (0.42) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP disclosed