SCHEMBL9680853

SCHEMBL9680853

CCc1cc(NCc2cc(C)c(C)cc2OC)c(=O)[nH]c1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
GAA P10253 6/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 4/20 0.37
APAF1 O14727 1/20 0.37
RECQL P46063 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
IDH1 O75874 7/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9846236 0.88 MAPT (0.38) MAPTGAALMNATDP1L3MBTL1
SCHEMBL9168694 0.85 PDE3B (0.42) MAPTGAALMNATDP1L3MBTL1
SCHEMBL9680861 0.84 SLC2A1 (0.38) MAPTGAALMNATDP1L3MBTL1
SCHEMBL9681773 0.84 MAPT (0.38) MAPTGAALMNATDP1L3MBTL1
SCHEMBL9680359 0.83 MAPT (0.34) MAPTGAAKDM4EAPAF1RECQL
SCHEMBL9682064 0.83 MAPT (0.34) MAPTGAAKDM4EAPAF1RECQL
SCHEMBL9681421 0.82 MAPT (0.37) MAPTGAALMNAMAPK1KDM4E
SCHEMBL9846165 0.79 PDE3B (0.41) MAPTGAALMNATDP1L3MBTL1
SCHEMBL9681299 0.78 MAPT (0.35) MAPTGAALMNAMAPK1KDM4E
SCHEMBL9682808 0.77 PDE10A (0.34) MAPTLMNATSHRMAPK1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP claimed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed