SCHEMBL9542205

SCHEMBL9542205

COc1cc(C(=O)N(C(C)C)C2CCCCC2)ccc1Oc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL9543471 0.92 MEN1 (0.42) TSHRMEN1KMT2ATDP1NPSR1
SCHEMBL9542243 0.91 POLB (0.46) TSHRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9541782 0.91 KMT2A (0.41) TSHRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9542171 0.89 GAA (0.46) TSHRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9541760 0.84 TUBB4A (0.51) MEN1KMT2ATDP1MAPTPOLB
SCHEMBL9542198 0.84 GAA (0.47) TSHRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9586388 0.81 MEN1 (0.47) TSHRMEN1KMT2AGAATDP1
SCHEMBL9542195 0.81 MEN1 (0.40) TSHRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9541768 0.81 ALDH1A1 (0.42) TSHRMEN1KMT2ATDP1NPSR1
SCHEMBL9540822 0.81 THRB (0.46) MEN1KMT2AGAATDP1MAPT

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