SCHEMBL10339404

SCHEMBL10339404

CCCCCOC(O)CCO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.43
DNM1 Q05193 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PLA2G2C Q5R387 1/20 0.36

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
SCHEMBL7595622 0.98 USP2 (0.50) USP2MEN1KMT2AHTTTHRB
SCHEMBL15417920 0.98 USP2 (0.50) USP2MEN1KMT2AHTTTHRB
SCHEMBL1982323 0.93 TSHR (0.44) USP2MEN1KMT2AHTTTHRB
SCHEMBL10482127 0.89 SMN1; SMN2 (0.44) USP2MEN1KMT2AHTTTHRB
SCHEMBL29180631 0.88 LMNA (0.46) USP2MEN1KMT2AHTTTHRB
SCHEMBL5834624 0.88 LMNA (0.46) USP2MEN1KMT2AHTTTHRB
SCHEMBL15418859 0.88 LMNA (0.46) USP2MEN1KMT2AHTTTHRB
SCHEMBL28962173 0.88 LMNA (0.46) USP2MEN1KMT2AHTTTHRB
SCHEMBL9547481 0.88 CNR2 (0.55) ALDH1A1CNR1CNR2
SCHEMBL23038764 0.86 DNM1 (0.43) USP2HTTDNM1ALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2203798-A None JP disclosed
CN-101426881-A 1,1,1,2,2,3,3,4, 4-nonafluoro-4-methoxybutane refrigerant compositions comprising hydrocarbons and uses thereof DU PONT (US) 2009-05-06 CN disclosed
CN-1973015-A 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane refrigerant compositions comprising functionalized organic compounds and uses thereof DU PONT (US) 2007-05-30 CN disclosed
CN-1900208-A Refrigerant compositions containing a compatibilizer DU PONT (US) 2007-01-24 CN disclosed
CN-1479772-A Refrigerant compositions comprising compatibilizers ��Ļ���Ű˾ 2004-03-03 CN disclosed
JP-H02203798-A COMPOUND AND COMPOSITION PROMOTING HYDROLYSIS AND REAGENT KIT FOR MEASUREMENT TERUMO CORP 1990-08-13 JP disclosed