SCHEMBL11548253

SCHEMBL11548253

CCOC(C)(CC)CCCC/C(C)=C/CCO

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 4/20 0.40
ALOX15 P16050 2/20 0.30
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
UGT1A1 P22309 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11548256 1.00 SQLE (0.40) SQLEALOX15MAPTALDH1A1MEN1
SCHEMBL11547248 0.95 SQLE (0.39) SQLEALOX15MAPTALDH1A1MEN1
SCHEMBL11548983 0.87 PTPN1 (0.40) SQLEALOX15MAPTALDH1A1MEN1
SCHEMBL11548980 0.87 PTPN1 (0.40) SQLEALOX15MAPTALDH1A1MEN1
SCHEMBL11553472 0.83
SCHEMBL11553476 0.83
SCHEMBL11549303 0.82 PTPN1 (0.41) SQLEALOX15MAPTALDH1A1MEN1
SCHEMBL11549306 0.82 PTPN1 (0.41) SQLEALOX15MAPTALDH1A1MEN1
SCHEMBL11555160 0.81 SQLE (0.31) SQLEALOX15
SCHEMBL11555154 0.81 SQLE (0.31) SQLEALOX15

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