SCHEMBL9543471

SCHEMBL9543471

CCOc1cc(C(=O)N(C(C)C)C2CCCCC2)ccc1Oc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 4/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
REN P00797 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
MAPK1 P28482 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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 0.92 TSHR (0.43) MEN1KMT2ATSHRMAPTTDP1
SCHEMBL9541782 0.85 KMT2A (0.41) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL9542243 0.85 POLB (0.46) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL9542171 0.84 GAA (0.46) MEN1KMT2ATSHRMAPTTDP1
SCHEMBL9544581 0.81 NPC1 (0.44) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL9541760 0.80 TUBB4A (0.51) MEN1KMT2AMAPTTDP1
SCHEMBL9540773 0.79 SLC6A2 (0.42) MEN1KMT2AHPGDALDH1A1APOBEC3G
SCHEMBL9586388 0.79 MEN1 (0.47) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL9542195 0.79 MEN1 (0.40) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL9541768 0.79 ALDH1A1 (0.42) MEN1KMT2AALDH1A1L3MBTL1TSHR

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