SCHEMBL13678633

SCHEMBL13678633

CCCC(=O)N(C=O)OC(=O)CCSCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.50
▸ ALB P02768 2/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ SLC5A2 P31639 2/20 0.44
▸ CA9 Q16790 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ AVPR2 P30518 1/20 0.42
▸ OXTR P30559 1/20 0.42
▸ AVPR1A P37288 1/20 0.42
▸ FKBP1A P62942 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HAVCR2 Q8TDQ0 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
SCHEMBL14620245 0.96 FOLH1 (0.53) FOLH1ALBESR1SLC5A2CA9
SCHEMBL9906327 0.84 FOLH1 (0.52) FOLH1ALBESR1SLC5A2CA9
SCHEMBL13678658 0.81 CA9 (0.49) ESR1CA9CA12CA1CA2
SCHEMBL9906326 0.80 FOLH1 (0.56) FOLH1ALBESR1SLC5A2CA9
SCHEMBL9906192 0.80 ALB (0.49) FOLH1ALBESR1SLC5A2CA9
SCHEMBL9906325 0.79 FOLH1 (0.54) FOLH1ALBESR1SLC5A2CA9
SCHEMBL9906321 0.79 FOLH1 (0.55) FOLH1ALBESR1SLC5A2CA9
SCHEMBL16561810 0.78 FOLH1 (0.62) FOLH1ALBESR1SLC5A2CA9
SCHEMBL1688099 0.78 FOLH1 (0.51) FOLH1ALBESR1SLC5A2CA9
SCHEMBL17346851 0.77 FOLH1 (0.60) FOLH1ALBESR1SLC5A2CA9

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
EP-1540347-B1 DETECTING RECEPTOR OLIGOMERIZATION ACLARA BIOSCIENCES INC (US) 2009-09-09 — — EP disclosed
Send feedback