SCHEMBL9542307

SCHEMBL9542307

COc1cc(C(O)c2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
ALOX15 P16050 1/20 0.41
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
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
SIRT5 Q9NXA8 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCHR1 Q99705 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
SCHEMBL9543513 0.90 HIF1A (0.43) ALOX15SLC6A9MAPTTSHRMCHR1
SCHEMBL9542195 0.89 MEN1 (0.40) MEN1KMT2AALDH1A1GLAALOX15
SCHEMBL9584911 0.87 MEN1 (0.39) MEN1KMT2AALDH1A1GLAALOX15
SCHEMBL9544534 0.86 KMT2A (0.38) MEN1KMT2AALDH1A1GLAALOX15
SCHEMBL9541760 0.85 TUBB4A (0.51) MEN1KMT2ASLC6A9TDP1MAPT
SCHEMBL9540822 0.83 THRB (0.46) MEN1KMT2AALDH1A1GAASLC6A9
SCHEMBL9542171 0.83 GAA (0.46) MEN1KMT2ACYP1A2CYP3A4GAA
SCHEMBL9584306 0.83 SLC6A9 (0.44) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9542205 0.80 TSHR (0.43) MEN1KMT2ACYP1A2CYP3A4GAA
SCHEMBL10453097 0.78 SLC6A9 (0.51) MEN1KMT2AALDH1A1ALOX15GAA

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 4 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 claimed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO claimed
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