SCHEMBL5134532

SCHEMBL5134532

OCC(O)CCCCCCCCCSSCCCCCCCCCC(O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
USP2 O75604 2/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 4/20 0.38
ALDH1A1 P00352 1/20 0.38
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
GPR84 Q9NQS5 4/20 0.30
CYP2D6 P10635 2/20 0.30
SPHK1 Q9NYA1 1/20 0.30
GMNN O75496 1/20 0.30
POLB P06746 1/20 0.30
THPO P40225 1/20 0.30
MTOR P42345 1/20 0.30
BLM P54132 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 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
SCHEMBL5709983 0.84 THRB (0.59) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL22395412 0.84 THRB (0.59) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL25303278 0.84 THRB (0.59) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL25389134 0.84 THRB (0.59) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL9278178 0.84 THRB (0.59) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL7902919 0.83 PTPN1 (0.38) USP2CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL1164867 0.81 THRB (0.62) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL13563298 0.80 LMNA (0.38) THRBLMNAALDH1A1
SCHEMBL11228724 0.78 THRB (0.53) THRBLMNAALDH1A1
SCHEMBL20916752 0.76 FOLH1 (0.32)

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
WO-2008028206-A2 METHOD FOR PRODUCING REACTIVE MONOLAYER UNITS Universität Linz (AT) 2008-03-13 WO disclosed