SCHEMBL9709355

SCHEMBL9709355

C[Si](C)(C)CC(C(=O)O)=C(C(=O)O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TSHR P16473 3/20 0.32
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HTT P42858 1/20 0.31
HSD11B1 P28845 1/20 0.31
EPHX1 P07099 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.30
NAAA Q02083 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9709344 1.00 CES2 (0.35) CES2CES1TSHRHDAC8HDAC6
SCHEMBL3514610 0.80 NAAA (0.33) CES2CES1EPHX1NAAASMN1; SMN2
SCHEMBL3514615 0.80 NAAA (0.33) CES2CES1EPHX1NAAASMN1; SMN2
SCHEMBL165169 0.79 CES2 (0.39) CES2CES1TSHRHDAC8HDAC6
SCHEMBL164998 0.79 CES2 (0.39) CES2CES1TSHRHDAC8HDAC6
SCHEMBL164999 0.79 CES2 (0.39) CES2CES1TSHRHDAC8HDAC6
SCHEMBL10193608 0.77 CES2 (0.36) CES2CES1HDAC8HDAC6HSD11B1
SCHEMBL305183 0.76 CES2 (0.34) CES2CES1HDAC8HDAC6HSD11B1
SCHEMBL305181 0.76 CES2 (0.34) CES2CES1HDAC8HDAC6HSD11B1
SCHEMBL6514709 0.74 SMN1; SMN2 (0.35) CES2CES1HDAC8HDAC6EPHX1

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
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP claimed