SCHEMBL8401236

SCHEMBL8401236

O=C=C1CCc2ccccc2NC1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
MTNR1A P48039 2/20 0.38
EGFR P00533 1/20 0.38
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPRA P18433 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 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
SCHEMBL7916963 0.71 ITGB3 (0.51) MAPTGAAEGFRALDH1A1NPC1
SCHEMBL7916970 0.71 ITGB3 (0.51) MAPTGAAEGFRALDH1A1NPC1
SCHEMBL8636756 0.69 MAPT (0.48) MAPTGAAMTNR1AEGFRALDH1A1
SCHEMBL8636753 0.69 MAPT (0.48) MAPTGAAMTNR1AEGFRALDH1A1
SCHEMBL8636746 0.69 MAPT (0.48) MAPTGAAMTNR1AEGFRALDH1A1
SCHEMBL8503077 0.69 ITGB3 (0.61) ITGB3ITGAV
SCHEMBL5152873 0.68 GAA (0.57) MAPTGAAMTNR1AEGFRITGB3
Hydrochloric Acid SCHEMBL9544373 0.67 GAA (0.56) MAPTGAAMTNR1AEGFRITGB3
SCHEMBL1389876 0.65 HTR2A (0.55) EGFRSMN1; SMN2CYP1A2
SCHEMBL4420851 0.65 ALDH1A1 (0.74) MAPTGAAALDH1A1NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US claimed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed