SCHEMBL8556804

SCHEMBL8556804

COc1cc(C(=O)CN)ccc1OCC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.76
KMT2A Q03164 1/20 0.76
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TSHR P16473 2/20 0.54
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50

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
SCHEMBL8556739 0.91 MEN1 (0.61) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL1260548 0.86 TSHR (0.63) MEN1KMT2ASMN1; SMN2TSHRMAPT
SCHEMBL9774170 0.84 KMT2A (0.75) MEN1KMT2APOLBSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL29112504 0.84 TSHR (0.61) MEN1KMT2ASMN1; SMN2TSHRMAPT
Hydrochloric Acid SCHEMBL4512041 0.84 TSHR (0.61) MEN1KMT2ASMN1; SMN2TSHRMAPT
SCHEMBL3817791 0.84 MEN1 (0.79) MEN1KMT2APOLBSMN1; SMN2TSHR
SCHEMBL5907838 0.83 KMT2A (0.73) MEN1KMT2APOLBSMN1; SMN2TSHR
Trifluoroacetic Acid SCHEMBL8556612 0.83 MEN1 (0.53) MEN1KMT2APOLBSMN1; SMN2ITGB3
SCHEMBL8836080 0.82 KMT2A (0.53) MEN1KMT2APOLBSMN1; SMN2TSHR
SCHEMBL10143506 0.82 PRSS1 (0.68) MEN1KMT2APOLBSMN1; SMN2TSHR

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
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed