SCHEMBL8593180

SCHEMBL8593180

CCOC(=O)CCCOc1cc(OCCCCCOc2ccc(CN=NC(=O)c3cccnc3)cc2)ccc1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.42
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM2 Q14416 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
LTA4H P09960 3/20 0.35
KCNA5 P22460 1/20 0.35
FFAR1 O14842 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
LTB4R Q15722 1/20 0.35

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
SCHEMBL8592505 0.91 NFKB1 (0.39) TBXAS1NFKB1NFKB2RELALMNA
SCHEMBL8593181 0.89 LMNA (0.38) TBXAS1NFKB1NFKB2RELALMNA
SCHEMBL8592332 0.88 GRM2 (0.38) TBXAS1NFKB1NFKB2RELALMNA
SCHEMBL8593177 0.86 TBXAS1 (0.42) TBXAS1NFKB1NFKB2RELALMNA
SCHEMBL8593369 0.85 FFAR1 (0.40) LTA4HFFAR1CYSLTR2CYSLTR1LTB4R
SCHEMBL8589592 0.85 PPARG (0.38) NFKB1NFKB2RELALMNANPC1
SCHEMBL8995002 0.83 LMNA (0.46) NFKB1NFKB2RELALMNANPC1
SCHEMBL8592509 0.80 LTB4R (0.40) NFKB1NFKB2RELALMNANPC1
SCHEMBL8592790 0.79 NPC1 (0.34) NFKB1NFKB2RELALMNANPC1
SCHEMBL9187924 0.78 LMNA (0.39) TBXAS1NFKB1NFKB2RELALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669909-B1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT CIBA GEIGY AG (CH) 1998-01-07 EP claimed
EP-0669909-B1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT CIBA GEIGY AG (CH) 1998-01-07 EP disclosed
US-5639768-A LEUKOTOTRIENE RECEPTOR ANTAGONIST; ANTINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-17 US disclosed
EP-0669909-A1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT Novartis AG (CH) 1995-09-06 EP disclosed
WO-1994011341-A1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT CIBA-GEIGY AG (CH) 1994-05-26 WO disclosed