SCHEMBL8580710

SCHEMBL8580710

CCCCCCCCCCCCC[CH]OCCOCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
THRB P10828 1/20 0.62
HTT P42858 1/20 0.62
MAPT P10636 1/20 0.62
TSHR P16473 3/20 0.52
EPHX2 P34913 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
CNR2 P34972 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HSD17B10 Q99714 1/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL27577975 1.00 MEN1 (0.62) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28544676 0.95 MAPT (0.56) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28054454 0.92 TSHR (0.56) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8580594 0.89 MEN1 (0.62) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28111504 0.88 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL27244455 0.88 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8576719 0.86 MAPT (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL22500203 0.83 CNR2 (0.51) KMT2AMAPTLMNAUSP2CNR2
SCHEMBL5144695 0.82 MEN1 (0.69) MEN1KMT2ATHRBHTTMAPT
SCHEMBL5857514 0.82 TSHR (0.38) MEN1KMT2ATHRBHTTMAPT

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
US-5753707-A TREATING SKIN DISORDER, DERMATITIS, ROUGH SKIN; BARRIER FUNCTION KAO CORPORATION (JP) 1998-05-19 US disclosed