SCHEMBL9542243

SCHEMBL9542243

COc1cc(Oc2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2Cl)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
MAPT P10636 4/20 0.40
TSHR P16473 3/20 0.40
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A9 P48067 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
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
SCHEMBL9542205 0.91 TSHR (0.43) POLBKMT2AMAPTTSHRMEN1
SCHEMBL9541782 0.88 KMT2A (0.41) MAPK1KMT2AALDH1A1MAPTTSHR
SCHEMBL9542171 0.86 GAA (0.46) POLBKMT2AMAPTTSHRMEN1
SCHEMBL9543471 0.85 MEN1 (0.42) MAPK1KMT2AALDH1A1MAPTTSHR
SCHEMBL9541760 0.80 TUBB4A (0.51) POLBKMT2AMAPTMEN1SLC6A9
SCHEMBL9542198 0.79 GAA (0.47) KMT2AMAPTTSHRMEN1CYP1A2
SCHEMBL9540822 0.78 THRB (0.46) POLBKMT2AALDH1A1MAPTMEN1
SCHEMBL9584306 0.77 SLC6A9 (0.44) POLBMAPK1KMT2AALDH1A1MAPT
SCHEMBL9542307 0.77 MEN1 (0.42) POLBKMT2AALDH1A1MAPTTSHR
SCHEMBL9542195 0.77 MEN1 (0.40) POLBKMT2AALDH1A1TSHRMEN1

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