SCHEMBL14819929

SCHEMBL14819929

COC(=O)Cc1ccc(Oc2cc3c(cc2N)nc(C)n3COCC[SiH2]C)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
DCTPP1 Q9H773 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
TLR7 Q9NYK1 5/20 0.34
ROCK2 O75116 5/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
P2RX3 P56373 1/20 0.32
CYP2C19 P33261 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL2002775 0.89 DCTPP1 (0.35) ALDH1A1DCTPP1KDM4EMEN1USP2
SCHEMBL12570878 0.89 DCTPP1 (0.34) ALDH1A1DCTPP1KDM4EMEN1USP2
SCHEMBL14819947 0.79 PPARD (0.38) ALDH1A1DCTPP1MEN1KMT2APPARG
SCHEMBL2008340 0.77 DCTPP1 (0.35) ALDH1A1DCTPP1MEN1MAPTKMT2A
SCHEMBL2005624 0.73 PTGDR (0.46)
SCHEMBL2003153 0.69 PPARD (0.39) ALDH1A1DCTPP1MEN1MAPTKMT2A
SCHEMBL3641599 0.69 PPARD (0.39) ALDH1A1DCTPP1MEN1MAPTKMT2A
SCHEMBL2003491 0.66 CHEK1 (0.46) ALDH1A1KDM4EMAPTGAAGFER
SCHEMBL7896877 0.65 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AGAAGFER
SCHEMBL2001572 0.64 ALDH1A1 (0.39) ALDH1A1GAAGFERTLR7ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed