SCHEMBL10005231

SCHEMBL10005231

CCCCOCC(O)CN1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
USP2 O75604 3/20 0.64
ALOX15 P16050 1/20 0.64
GLA P06280 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 5/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.45
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.42
RAD52 P43351 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL11154511 0.94 KDM4E (0.58) KDM4EALDH1A1USP2ALOX15GLA
SCHEMBL23673724 0.93 USP2 (0.71) KDM4EALDH1A1USP2ALOX15GLA
SCHEMBL8394063 0.93 USP2 (0.71) KDM4EALDH1A1USP2ALOX15GLA
SCHEMBL21477058 0.92 KDM4E (0.57) KDM4EALDH1A1USP2ALOX15GLA
SCHEMBL21477194 0.92 KDM4E (0.57) KDM4EALDH1A1USP2ALOX15GLA
SCHEMBL13924017 0.91 KDM4E (0.55) KDM4EALDH1A1USP2ALOX15GLA
SCHEMBL12402811 0.89 ALDH1A1 (0.52) KDM4EALDH1A1USP2ALOX15GLA
SCHEMBL12170225 0.86 KDM4E (0.51) KDM4EALDH1A1USP2ALOX15GLA
SCHEMBL301621 0.84 KDM4E (0.49) KDM4EALDH1A1USP2ALOX15GLA
SCHEMBL301640 0.84 KDM4E (0.49) KDM4EALDH1A1USP2ALOX15GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120006229-A1 AQUEOUS SOLUTION OF PIPERAZINYL-CONTAINING SILANOL COMPOUND AND MAKING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-7897716-B2 Polyorganosiloxane compositions for the treatment of substrates MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2011-03-01 US disclosed
US-7585494-B2 Formulations used for the treatment of substrate surfaces MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2009-09-08 US disclosed