SCHEMBL8308862

SCHEMBL8308862

O=C(c1ccccc1)N1[C@H](CO)C[C@H]1CO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
HPGD P15428 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA4 P43681 2/20 0.42
ACHE P22303 1/20 0.42
ABCB1 P08183 1/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
BLM P54132 1/20 0.41
PIK3CD O00329 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.40
EPHX1 P07099 1/20 0.39

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
SCHEMBL8308867 1.00 SIGMAR1 (0.44) SIGMAR1HPGDCHRNB2CHRNB4CHRNA3
SCHEMBL8308864 1.00 SIGMAR1 (0.44) SIGMAR1HPGDCHRNB2CHRNB4CHRNA3
SCHEMBL18587701 0.75 CHRNB2 (0.52) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL18588003 0.75 CHRNB2 (0.52) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL19615663 0.75 CHRNB2 (0.52) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL18588004 0.75 CHRNB2 (0.52) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL12256049 0.73 TSHR (0.55) SIGMAR1HPGDCHRNB2CHRNB4CHRNA3
SCHEMBL11447207 0.73 SPHK2 (0.64)
SCHEMBL4931440 0.73 SPHK2 (0.64)
SCHEMBL699162 0.72 CHRNB2 (0.56) SIGMAR1HPGDCHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607374-B1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS PO HANG IRON & STEEL (KR) 1999-04-07 EP disclosed
US-5700817-A Cyclic lipid derivatives as potent PAF antagonists POHANG IRON & STEEL CO., LTD. (KR) 1997-12-23 US disclosed
US-5610310-A Cyclic lipid derivatives as potent PAF antagonists POHANG IRON & STEEL CO., LTD (KR) 1997-03-11 US disclosed