SCHEMBL809941

SCHEMBL809941

C=Cc1ccc(CCCCl)cc1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.47
PTGS1 P23219 1/20 0.47
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
LTA4H P09960 3/20 0.40
ALOX5 P09917 2/20 0.39
CFD P00746 1/20 0.38
THRB P10828 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
PTGS2 P35354 1/20 0.36
CCR5 P51681 2/20 0.36
MAPT P10636 1/20 0.35
ALOX12 P18054 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
SCHEMBL809884 0.92 AKT1 (0.56) AKT1PTGS1LMNANPC1PKM
SCHEMBL809745 0.85 PTGS1 (0.51) AKT1PTGS1LMNANPC1PKM
SCHEMBL809961 0.83 PTGS1 (0.49) AKT1PTGS1CYP4F2CYP4A11TRPV1
SCHEMBL14761149 0.81 ALDH1A1 (0.44) PTGS1LMNAHTTALOX5MAPT
SCHEMBL810128 0.80 PTGS1 (0.51) AKT1PTGS1LMNARAB9ACYP4F2
SCHEMBL810049 0.80 PTGS1 (0.51) AKT1PTGS1LMNARAB9ACYP4F2
SCHEMBL3681025 0.77 KMT2A (0.47) PTGS1LMNANPC1HTTRAB9A
SCHEMBL27439820 0.77 PTGS1 (0.49) PTGS1LMNACYP4F2CYP4A11ALOX5
SCHEMBL810068 0.75 PTGS1 (0.50) AKT1PTGS1LMNANPC1PKM
SCHEMBL30846847 0.74 AKT1 (0.67) AKT1PTGS1LMNANPC1PKM

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
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed