SCHEMBL6274038

SCHEMBL6274038

OCCCCCC(O)CC(O)CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.61
CYP3A4 P08684 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
THRB P10828 1/20 0.43
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
PTPN1 P18031 1/20 0.35
PSMD14 O00487 2/20 0.33
PLA2G1B P04054 2/20 0.33
MMP2 P08253 2/20 0.33
ATG4B Q9Y4P1 2/20 0.33
HSP90AA1 P07900 1/20 0.33
RAD52 P43351 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11281475 0.92 USP2 (0.50) USP2CYP3A4SMN1; SMN2THRBALDH1A1
SCHEMBL7054570 0.90 USP2 (0.54) USP2CYP3A4SMN1; SMN2THRBALDH1A1
SCHEMBL18975254 0.87 USP2 (0.47) USP2CYP3A4SMN1; SMN2THRBALDH1A1
SCHEMBL2817688 0.87 USP2 (0.47) USP2CYP3A4SMN1; SMN2THRBALDH1A1
1,6-Hexanediol SCHEMBL17982752 0.87 THRB (0.58) USP2CYP3A4SMN1; SMN2THRBALDH1A1
SCHEMBL3964020 0.87 THRB (0.58) USP2CYP3A4SMN1; SMN2THRBALDH1A1
SCHEMBL3967156 0.87 THRB (0.58) USP2CYP3A4SMN1; SMN2THRBALDH1A1
SCHEMBL11695104 0.87 THRB (0.58) USP2CYP3A4SMN1; SMN2THRBALDH1A1
SCHEMBL8624500 0.87 THRB (0.58) USP2CYP3A4SMN1; SMN2THRBALDH1A1
SCHEMBL8696164 0.87 THRB (0.58) USP2CYP3A4SMN1; SMN2THRBALDH1A1

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-1497403-B1 HARD SURFACE CLEANING AND DISINFECTING COMPOSITIONS RECKITT BENCKISER INC (US) 2005-12-21 EP disclosed