SCHEMBL8072009

SCHEMBL8072009

CCOC(=O)c1cc(C)c2c(c1Cl)C(OC)CCS2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
METTL3 Q86U44 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL8071872 0.81
SCHEMBL8405172 0.76 GAA (0.32) ALDH1A1KDM4ENPSR1GAAPOLB
SCHEMBL8070195 0.75 PDE2A (0.31)
SCHEMBL8404136 0.74 GAA (0.36) ALDH1A1KDM4EGAAPOLBMAPT
SCHEMBL8133195 0.72 LMNA (0.40) ALDH1A1KDM4ENPSR1GAAMAPT
SCHEMBL8307790 0.70
SCHEMBL8072013 0.70 ALDH1A1 (0.37) ALDH1A1KDM4ENPSR1GAAPOLB
SCHEMBL6721445 0.69 CYP4F2 (0.38) ALDH1A1GAAPOLBMAPTHIF1A
SCHEMBL8544578 0.66 KDM4E (0.40) ALDH1A1KDM4EGAAMAPTCYP4F2
SCHEMBL8137486 0.66 CYP4F2 (0.35) ALDH1A1GAAPOLBMAPTHIF1A

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-6037312-A HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 2000-03-14 US disclosed