SCHEMBL7357812

SCHEMBL7357812

CC(C)(C)OC(=O)CCn1c(=O)c2ccc(c(C(=O)O)c2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ STING1 Q86WV6 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PLK1 P53350 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
SCHEMBL7358822 0.85 GAA (0.39) MAPTGAAPOLBNPSR1ALDH1A1
SCHEMBL16789472 0.71 KDM4E (0.40) GAAALDH1A1KDM4EJAK2JAK1
SCHEMBL24147672 0.69 ALDH1A1 (0.38) MAPTGAAPOLBALDH1A1KDM4E
SCHEMBL15335218 0.68 ALDH1A1 (0.38) MAPTGAAALDH1A1KDM4EJAK2
SCHEMBL8177614 0.64 KDM4E (0.43) MAPTGAAPOLBALDH1A1KDM4E
SCHEMBL14984829 0.63 ALDH1A1 (0.44) MAPTNPSR1ALDH1A1HPGD
SCHEMBL31520609 0.62 KDM4E (0.43) MAPTGAAALDH1A1KDM4EHSD17B10
SCHEMBL27603656 0.62 ALOX15 (0.40) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL7355574 0.62 HPGD (0.46) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL25391946 0.62 ALDH1A1 (0.35) MAPTALDH1A1KDM4EHDAC6

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-6037343-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-03-14 — — US disclosed
EP-0796098-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1998-04-29 — — EP disclosed
EP-0796098-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-24 — — EP disclosed
WO-1996019223-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-27 — — WO disclosed
Send feedback