SCHEMBL8894633

SCHEMBL8894633

CN1CCC1OC(=O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
CHRNA7 P36544 2/20 0.46
HTR3A P46098 1/20 0.46
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 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
SCHEMBL11641123 0.73 HTR3E (0.65) CHRNA7HTR3AALDH1A1SMN1; SMN2MEN1
SCHEMBL11641126 0.73 HTR3E (0.65) CHRNA7HTR3AALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL11643407 0.72 HTR3E (0.63) CHRNA7HTR3AALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL11643410 0.72 HTR3E (0.63) CHRNA7HTR3AALDH1A1SMN1; SMN2MEN1
SCHEMBL688928 0.72
SCHEMBL1787764 0.71 ALDH1A1 (0.51) GAACHRNA7HTR3AALDH1A1SMN1; SMN2
SCHEMBL1788981 0.71 ALDH1A1 (0.47) GAACHRNA7HTR3AALDH1A1SMN1; SMN2
SCHEMBL1353554 0.70 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL31196932 0.70 NFKB1 (0.42) GAACHRNA7HTR3AALDH1A1SMN1; SMN2
SCHEMBL12764128 0.70 ALDH1A1 (0.57) GAACHRNA7ALDH1A1SMN1; SMN2CHRNB4

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-5700817-A Cyclic lipid derivatives as potent PAF antagonists POHANG IRON & STEEL CO., LTD. (KR) 1997-12-23 US disclosed