SCHEMBL8914673

SCHEMBL8914673

[O-][N+]1(Cc2ccccc2)CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SLC18A3 Q16572 1/20 0.37
FUCA1 P04066 2/20 0.37
KCNA3 P22001 1/20 0.37
CCR3 P51677 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1725579 0.80 L3MBTL1 (0.39) MEN1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL11846749 0.78 HIF1A (0.41) MEN1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL1831948 0.78 HIF1A (0.41) MEN1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL10256418 0.78 CHRM3 (0.50) SLC18A3
SCHEMBL6926932 0.77 SIGMAR1 (0.46) MEN1KMT2AALDH1A1HIF1A
SCHEMBL14508514 0.76 MEN1 (0.40) MEN1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL596253 0.76 HIF1A (0.39) ALDH1A1CHRNB2CHRNA4HIF1A
SCHEMBL3540309 0.76 MEN1 (0.35) MEN1KMT2ACHRNB2CHRNA4HIF1A
Hydrochloric Acid SCHEMBL10944858 0.76 SIGMAR1 (0.44) MEN1KMT2AALDH1A1HIF1A
SCHEMBL1702299 0.73 HIF1A (0.37) MEN1KMT2AALDH1A1HIF1A

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-0759917-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1997-03-05 EP disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 WO disclosed