SCHEMBL9540839

SCHEMBL9540839

COc1cc(Cc2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2C)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ABCB1 P08183 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
SCHEMBL9541768 0.92 ALDH1A1 (0.42) TP53ALDH1A1MEN1KMT2ATHRB
SCHEMBL9540822 0.88 THRB (0.46) TP53ALDH1A1MEN1KMT2ATHRB
SCHEMBL9584911 0.80 MEN1 (0.39) TP53ALDH1A1MEN1KMT2ATHRB
SCHEMBL9541760 0.79 TUBB4A (0.51) MEN1KMT2ATHRBMAPTPOLB
SCHEMBL9199484 0.79 TSHR (0.44) TP53MEN1KMT2AMAPTTSHR
SCHEMBL9544575 0.78 SLC6A9 (0.39) TP53ALDH1A1MEN1KMT2ATHRB
SCHEMBL9542205 0.78 TSHR (0.43) TP53MEN1KMT2AMAPTPOLB
SCHEMBL9544531 0.77 KMT2A (0.37) TP53ALDH1A1MEN1KMT2ATDP1
SCHEMBL9542171 0.77 GAA (0.46) TP53MEN1KMT2ATHRBMAPT
SCHEMBL9584306 0.76 SLC6A9 (0.44) ALDH1A1MEN1KMT2ATHRBMAPT

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
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed