SCHEMBL1093758

SCHEMBL1093758

C=C(C)C(=O)OCCSCCN1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
TSHR P16473 6/20 0.38
POLB P06746 1/20 0.38
PIK3CD O00329 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL163326 0.88 KMT2A (0.46) KMT2ATSHRPOLBPIK3CDTHRB
SCHEMBL161624 0.85 TSHR (0.44) KMT2ATSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL31404679 0.84 TSHR (0.46) KMT2ATSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL28785139 0.83 TSHR (0.49) KMT2ATSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL17104459 0.83 TSHR (0.49) KMT2ATSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL19146571 0.83 TSHR (0.49) KMT2ATSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL11734811 0.83 THRB (0.46) KMT2ATSHRPOLBPIK3CDTHRB
SCHEMBL11890775 0.83 KMT2A (0.42) KMT2ATSHRPOLBPIK3CDTHRB
SCHEMBL12515375 0.82 KMT2A (0.40) KMT2ATSHRPOLBPIK3CDTHRB
SCHEMBL4906332 0.82 TSHR (0.45) KMT2ATSHRPIK3CDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344090-B2 PDMS-PVP block copolymers DSM IP ASSETS B.V. (NL) 2013-01-01 US disclosed
US-8153728-B2 PDMS-PVP block copolymers DSM IP ASSETS B.V. (NL) 2012-04-10 US disclosed
US-20120083573-A1 NOVEL PDMS-PVP BLOCK COPOLYMERS PARAKKA JAMES (US) 2012-04-05 US disclosed
US-20100099829-A1 NOVEL PDMS-PVP BLOCK COPOLYMERS THE POLYMER TECHNOLOGY GROUP INCORPORATED (US) 2010-04-22 US disclosed