SCHEMBL18554198

SCHEMBL18554198

CCCCCOc1ccccc1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.59
LMNA P02545 2/20 0.58
CYP3A4 P08684 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
NR1I2 O75469 1/20 0.58
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
MAPT P10636 1/20 0.58
OPRK1 P41145 1/20 0.58
HTR2B P41595 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
PLA2G4B P0C869 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL10803248 0.98 LMNA (0.60) PTGS2LMNACYP3A4KMT2AMEN1
SCHEMBL6737922 0.98 LMNA (0.60) PTGS2LMNACYP3A4KMT2AMEN1
SCHEMBL27645083 0.95 PTGS2 (0.59) PTGS2LMNACYP3A4KMT2AMEN1
SCHEMBL7635985 0.94 LMNA (0.56) PTGS2LMNACYP3A4KMT2AMEN1
SCHEMBL898711 0.88 LMNA (0.59) LMNACYP3A4KMT2AMEN1NR1I2
SCHEMBL898712 0.86 LMNA (0.58) LMNACYP3A4KMT2AMEN1NR1I2
SCHEMBL8081153 0.85 LMNA (0.56) LMNACYP3A4KMT2AMEN1NR1I2
SCHEMBL1963883 0.85 LMNA (0.60) LMNACYP3A4KMT2AMEN1NR1I2
SCHEMBL5613698 0.85 LMNA (0.60) LMNACYP3A4KMT2AMEN1NR1I2
SCHEMBL10904542 0.84 LTA4H (0.51) PTGS2LMNACYP3A4KMT2AMEN1

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
EP-3340979-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES The Texas A&M University System (US) 2018-07-04 EP claimed
WO-2017035438-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-03-02 WO claimed
EP-3340979-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES The Texas A&M University System (US) 2018-07-04 EP disclosed
WO-2017035438-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-03-02 WO disclosed