SCHEMBL6509408

SCHEMBL6509408

CC(=O)OC1CCC(C(=O)O)CC1.O=C(O)C1CCC(O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.35
▸ PLAT P00750 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GABRG1 Q8N1C3 1/20 0.34
▸ GABRG3 Q99928 1/20 0.34

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
SCHEMBL7490446 0.92 PLG (0.40) PLGPLATLMNAGABRPGABRD
SCHEMBL3278388 0.92 PLG (0.40) PLGPLATLMNAGABRPGABRD
SCHEMBL3997323 0.92 PLG (0.40) PLGPLATLMNAGABRPGABRD
SCHEMBL14127758 0.88 CHRM2 (0.37) TSHRCHRM2CHRM1CHRM4CHRM5
SCHEMBL2267594 0.88 CHRM2 (0.37) TSHRCHRM2CHRM1CHRM4CHRM5
SCHEMBL6509410 0.85 CHRM2 (0.32) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL19431348 0.85 PLG (0.35) PLGPLATLMNAGABRPGABRD
SCHEMBL19431487 0.85 PLG (0.35) PLGPLATLMNAGABRPGABRD
SCHEMBL19431480 0.85 PLG (0.35) PLGPLATLMNAGABRPGABRD
SCHEMBL19431406 0.85 PLG (0.35) PLGPLATLMNAGABRPGABRD

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
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 — — WO disclosed
Send feedback