SCHEMBL6490808

SCHEMBL6490808

CCOC(=O)/C=C(/Cc1ccc(OCc2ccccc2)cc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.48
LMNA P02545 5/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX5 P09917 3/20 0.47
MMP13 P45452 1/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
RECQL P46063 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL6490812 1.00 RAB9A (0.53) RAB9ANPC1LMNAKMT2ATDP1
SCHEMBL7797646 0.80 ALOX5 (0.48) NPC1LMNAKMT2AALOX5MEN1
SCHEMBL6501915 0.79 RAB9A (0.66) RAB9ANPC1LMNAKMT2ATDP1
SCHEMBL27511835 0.79 RAB9A (0.53) RAB9ANPC1LMNAKMT2ATDP1
SCHEMBL7683706 0.78 CYP19A1 (0.44) NPC1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7805240 0.77 HTT (0.48) RAB9ANPC1LMNAKMT2ATDP1
SCHEMBL5326284 0.74 LTB4R (0.67) RAB9ANPC1LMNAALOX5SMN1; SMN2
SCHEMBL8420401 0.74 LTB4R (0.67) RAB9ANPC1LMNAALOX5SMN1; SMN2
SCHEMBL5326282 0.74 LTB4R (0.67) RAB9ANPC1LMNAALOX5SMN1; SMN2
SCHEMBL27825976 0.74 TBXAS1 (0.50) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1

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
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed