SCHEMBL8425951

SCHEMBL8425951

CC(=O)O[C@H]1C[C@H](O)C[C@H]1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.44
CHRM1 P11229 6/20 0.44
CHRM3 P20309 5/20 0.44
CHRM4 P08173 4/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.36
CHRM5 P08912 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL18603169 0.87 CHRM2 (0.40) CHRM2CHRM1CHRM3CHRM4KMT2A
SCHEMBL19934329 0.81 CHRM2 (0.47) CHRM2CHRM1CHRM3CHRM4KMT2A
SCHEMBL20599589 0.81
SCHEMBL10494125 0.81 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRM4KMT2A
SCHEMBL10494118 0.81 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRM4KMT2A
SCHEMBL29308581 0.81 CHRM2 (0.47) CHRM2CHRM1CHRM3CHRM4KMT2A
SCHEMBL9073688 0.80
SCHEMBL14141275 0.79 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4KMT2A
SCHEMBL14099455 0.79 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4KMT2A
SCHEMBL6652812 0.79 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4KMT2A

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
US-5912247-A BLOOD FLOW INHIBITION; SIDE EFFECT REDUCTION KANEBO, LTD. (JP) 1999-06-15 US disclosed
EP-0743308-A2 Quinazoline compound and anti-tumor agent containing said compound as an active ingredient KANEBO, LTD. (JP) 1996-11-20 EP disclosed