SCHEMBL8555619

SCHEMBL8555619

COC(=O)[C@H]1CC[C@H](CN(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.36
CNR2 P34972 1/20 0.35
TP53 P04637 1/20 0.33
LIMK2 P53671 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
PKM P14618 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
HPGD P15428 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL9638805 1.00 KMT2A (0.38) KMT2ASMN1; SMN2ALDH1A1CNR2TP53
SCHEMBL15017085 0.87 CNR2 (0.38) KMT2ACNR2LIMK2HTR2CSLC6A4
SCHEMBL5024032 0.85 KMT2A (0.48) KMT2ASMN1; SMN2CNR2LIMK2HTR2C
SCHEMBL5024028 0.85 KMT2A (0.48) KMT2ASMN1; SMN2CNR2LIMK2HTR2C
SCHEMBL7409512 0.84 ALOX5 (0.36) KMT2ASMN1; SMN2CNR2LIMK2GAA
SCHEMBL5760556 0.83 KMT2A (0.34) KMT2ACNR2LIMK2
SCHEMBL5760559 0.83 KMT2A (0.34) KMT2ACNR2LIMK2
SCHEMBL6019334 0.81 NR1H2 (0.43) KMT2ACNR2LIMK2HTR2CSLC6A4
SCHEMBL25568402 0.81 NR1H2 (0.36) KMT2ACNR2LIMK2HTR2CSLC6A4
SCHEMBL6019337 0.81 NR1H2 (0.43) KMT2ACNR2LIMK2HTR2CSLC6A4

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
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US 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
US-5166403-A Liquid crystals SHOWA DENKO K.K. (JP) 1992-11-24 US disclosed