SCHEMBL4536563

SCHEMBL4536563

COC=CC=COC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL4531307 0.89 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TSHRMGAM
SCHEMBL4531306 0.89 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TSHRMGAM
SCHEMBL8097414 0.83
SCHEMBL8097415 0.83
SCHEMBL11101894 0.79
SCHEMBL27538005 0.79
SCHEMBL11113621 0.79 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL27675394 0.77
SCHEMBL28468659 0.77
SCHEMBL11020982 0.77 NFE2L2 (0.50) ALDH1A1LMNAHSD17B10TSHRMGAM

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-2012063972-A1 METHOD FOR COATING REACTOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-18 WO disclosed