SCHEMBL11037303

SCHEMBL11037303

CC(C)N(CCCC(N)=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
ALOX15 P16050 2/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
CYP3A4 P08684 2/20 0.33
SOAT1 P35610 2/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
PGR P06401 1/20 0.32
ADRB3 P13945 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL2835999 0.88 KMT2A (0.40) KMT2AMEN1THRBTHRAALOX15
SCHEMBL1147837 0.83 KMT2A (0.40) KMT2AMEN1THRBTHRACHRM2
SCHEMBL4937002 0.81 MEN1 (0.39) KMT2AMEN1THRBTHRACHRM2
SCHEMBL4928619 0.81 LMNA (0.46) KMT2AMEN1ALOX15PMP22PDE3A
SCHEMBL21422280 0.79 MEN1 (0.37) KMT2AMEN1THRBTHRACHRM2
Hydrochloric Acid SCHEMBL7325556 0.79 LMNA (0.43) KMT2AMEN1ALOX15BLMPMP22
SCHEMBL964734 0.79 CTSD (0.45) KMT2AMEN1THRBTHRACYP3A4
SCHEMBL1147835 0.76 KMT2A (0.39) KMT2AMEN1THRBTHRACHRM2
Ethylene Glycol SCHEMBL11520413 0.76 PAOX (0.39) KMT2AMEN1THRBTHRATDP1
SCHEMBL19085521 0.76 TSHR (0.56) KMT2AMEN1TSHRKDM4E

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-0054593-B1 MYOCARDIUM PROTECTING PYRROLE DERIVATIVES WITH ANTI-ARYTHMIC AND ANTI-PLATELET AGGREGATION ACTIVITY, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM SANOFI S.A. (FR) 1985-03-13 EP disclosed
EP-0054593-A1 Myocardium protecting pyrrole derivatives with anti-arythmic and anti-platelet aggregation activity, process for their preparation and medicines containing them SANOFI S.A. (FR) 1982-06-30 EP disclosed
US-4329343-A ANTIARRYTHMIA AGENTS, BLOOD PLATELET ANTICOAGULANTS SANOFI (FR) 1982-05-11 US disclosed