SCHEMBL8995072

SCHEMBL8995072

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N(c3ccccc3)C(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.46
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
PLA2G4B P0C869 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LTB4R Q15722 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LSS P48449 1/20 0.40

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
Hydrochloric Acid SCHEMBL9139776 0.88 HPGD (0.45) TP53MEN1KMT2ALTB4RLMNA
SCHEMBL9699605 0.85 PRMT1 (0.56) MLYCDHTTLTB4RLMNAALDH1A1
SCHEMBL8995101 0.85 PDE10A (0.51) HTTTP53TSHRPLA2G4B
Hydrochloric Acid SCHEMBL8593547 0.84 HPGD (0.44) HTTPLA2G4BMEN1KMT2ALTB4R
SCHEMBL8994945 0.84 LTB4R (0.55) HTTTP53TSHRPLA2G4BMEN1
SCHEMBL8994976 0.82 ALDH1A1 (0.52) MLYCDHTTLTB4RLMNAALDH1A1
SCHEMBL8748042 0.81 ALDH1A1 (0.50) MLYCDTP53TSHRPPARAMEN1
SCHEMBL8748252 0.79 GAA (0.55) MLYCDTDP1TP53PPARALTB4R
SCHEMBL8748249 0.79 GAA (0.55) MLYCDTDP1TP53PPARALTB4R
SCHEMBL8995027 0.79 NPC1 (0.54) HTTTP53TSHRPLA2G4BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP disclosed
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed