SCHEMBL11554685

SCHEMBL11554685

CCOC(C)(C)CCCC(C)CCOc1ccc(CS(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
S1PR1 P21453 2/20 0.36
ACACB O00763 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL11550273 0.91 KMT2A (0.39) ALOX5S1PR1ACACBMEN1KMT2A
SCHEMBL11551789 0.86 GPR119 (0.40)
SCHEMBL11553217 0.86 LMNA (0.40) ALOX5S1PR1SMN1; SMN2S1PR4S1PR3
SCHEMBL11547888 0.84 POLB (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL11545630 0.83 LMNA (0.35) ALOX5S1PR1ACACBTP53SMN1; SMN2
SCHEMBL11552464 0.82 S1PR1 (0.43) S1PR1MEN1KMT2ASMN1; SMN2S1PR4
SCHEMBL11548618 0.81 ALOX5 (0.36) ALOX5S1PR1ACACBMEN1KMT2A
SCHEMBL11553386 0.81 HRH3 (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL11546267 0.81 MEN1 (0.41) MEN1KMT2ATP53SMN1; SMN2
SCHEMBL11549696 0.81 ALDH1A1 (0.38) ALOX5S1PR1ACACBTP53SMN1; SMN2

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