SCHEMBL11549696

SCHEMBL11549696

C=CCc1ccc(OCCC(C)CCCC(C)(C)OCC)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.36
ACACB O00763 2/20 0.35
ALOX5 P09917 1/20 0.35
PPARA Q07869 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL11553217 0.87 LMNA (0.40) ALDH1A1SMN1; SMN2MAPTALOX5PPARA
SCHEMBL11545630 0.86 LMNA (0.35) ALDH1A1TP53ALOX12SMN1; SMN2MAPT
SCHEMBL11547888 0.85 POLB (0.41) ALDH1A1SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL11548618 0.85 ALOX5 (0.36) ALDH1A1SMN1; SMN2ACACBALOX5TDP1
SCHEMBL11552464 0.83 S1PR1 (0.43) ALDH1A1CYP3A4SMN1; SMN2S1PR4S1PR1
SCHEMBL11546267 0.82 MEN1 (0.41) TP53SMN1; SMN2PPARATDP1
SCHEMBL11553386 0.82 HRH3 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL11550273 0.81 KMT2A (0.39) ACACBALOX5TDP1S1PR4S1PR1
SCHEMBL11554685 0.81 ALOX5 (0.37) TP53SMN1; SMN2ACACBALOX5S1PR4
SCHEMBL11556189 0.80 PPARA (0.40) ALDH1A1TP53SMN1; SMN2MAPTPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137273-A INSECTICIDES, CHEMICAL INTERMEDIATES ZOECON CORPORATION (US) 1979-01-30 US disclosed