SCHEMBL8630707

SCHEMBL8630707

CCCCCCCCOC(CO)C(O)CCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
SPHK1 Q9NYA1 2/20 0.52
LMNA P02545 2/20 0.52
GMNN O75496 1/20 0.52
POLB P06746 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
BLM P54132 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CETP P11597 1/20 0.52
HTT P42858 1/20 0.52
UBE2N P61088 1/20 0.52
MGAM O43451 3/20 0.50
PTPN1 P18031 1/20 0.47
USP2 O75604 1/20 0.46
MEN1 O00255 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
SCHEMBL4431824 0.93 USP2 (0.49) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL29169756 0.89 CYP2D6 (0.49) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL7191315 0.89 PTPN1 (0.50) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL10466712 0.89 MGAM (0.52) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL27592379 0.89 MGAM (0.52) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL8667396 0.88 PTPN1 (0.48) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL29169787 0.88 CYP2D6 (0.47) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL4431826 0.88 FFAR4 (0.55) MAPTPTPN1MEN1KMT2AALDH1A1
SCHEMBL1962439 0.88 TSHR (0.46) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL1963385 0.88 FFAR4 (0.55) MAPTPTPN1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532557-B2 PROCESS FOR PRODUCING GLYCERIN ETHER SULPHATES HENKEL KGAA (DE) 1998-07-15 EP disclosed
US-5117032-A Reaction of sulfur trioxide with glycerol ethers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-05-26 US disclosed