SCHEMBL8923714

SCHEMBL8923714

[CH2]C(CCCC)Oc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.42
PPARG P37231 7/20 0.39
SLC6A4 P31645 2/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP2 P08253 1/20 0.37
CA9 Q16790 1/20 0.37
KCNH2 Q12809 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8887015 0.89 PPARA (0.41) PPARAPPARGSLC6A4POLBSIGMAR1
SCHEMBL11815981 0.81 PPARA (0.43) PPARAPPARGSLC6A4CA1CA2
SCHEMBL4635829 0.81 LTA4H (0.44) PPARAPPARGSLC6A4KCNH2SMN1; SMN2
SCHEMBL8995789 0.81 PPARA (0.40) PPARAPPARGSLC6A4POLBSIGMAR1
SCHEMBL8887653 0.79 MMP13 (0.42) CA1CA2MMP2CA9
SCHEMBL7976811 0.76 LTA4H (0.44) SLC6A4KCNH2SMN1; SMN2SLC6A2SLC6A3
SCHEMBL2518650 0.75 LTA4H (0.43) SLC6A4KCNH2SMN1; SMN2SLC6A2SLC6A3
SCHEMBL11319699 0.75 LTA4H (0.43) SLC6A4KCNH2SMN1; SMN2SLC6A2SLC6A3
SCHEMBL28177008 0.75 LTA4H (0.43) SLC6A4KCNH2SMN1; SMN2SLC6A2SLC6A3
SCHEMBL8554246 0.75 LTA4H (0.43) SLC6A4KCNH2SMN1; SMN2SLC6A2SLC6A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677263-A CONTROLLING UNWANTED GRASSES BASF AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5523462-A HERBICIDES; PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1996-06-04 US disclosed