SCHEMBL13812827

SCHEMBL13812827

CC(C)COc1ccc(Cl)cc1NC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 8/20 0.60
▸ IRAK4 Q9NWZ3 1/20 0.59
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ P2RX1 P51575 5/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TMPRSS4 Q9NRS4 4/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ TAS1R2 Q8TE23 1/20 0.49
▸ P2RX4 Q99571 2/20 0.49
▸ P2RX7 Q99572 2/20 0.49

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
SCHEMBL13812671 0.85 KCNMA1 (0.56) KCNMA1IRAK4MEN1USP2TP53
SCHEMBL13812650 0.82 KCNMA1 (0.53) KCNMA1IRAK4MEN1USP2TP53
SCHEMBL13812646 0.81 KCNMA1 (0.52) KCNMA1IRAK4MEN1USP2TP53
SCHEMBL13812895 0.80 KCNMA1 (0.58) KCNMA1IRAK4MEN1USP2TP53
SCHEMBL13812875 0.80 KCNMA1 (0.59) KCNMA1IRAK4MEN1USP2TP53
SCHEMBL13812635 0.80 KCNMA1 (0.59) KCNMA1IRAK4MEN1USP2TP53
SCHEMBL13812625 0.78 KCNMA1 (0.56) KCNMA1MEN1USP2TP53GAA
SCHEMBL13812905 0.78 KCNMA1 (0.57) KCNMA1MEN1USP2TP53GAA
SCHEMBL4209810 0.78 TMPRSS4 (0.59) KCNMA1MEN1KMT2AP2RX1KDM4E
SCHEMBL3861646 0.78 KCNMA1 (0.56) KCNMA1MEN1USP2TP53GAA

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-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
Send feedback