SCHEMBL11213367

SCHEMBL11213367

CCC(O)C(C)=Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.46
PTGS1 P23219 3/20 0.46
PTGS2 P35354 2/20 0.46
ALOX5AP P20292 1/20 0.46
ATM Q13315 1/20 0.45
EPOR P19235 4/20 0.44
LMNA P02545 3/20 0.43
TLR4 O00206 2/20 0.40
TLR2 O60603 2/20 0.40
MAPT P10636 1/20 0.40
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11213363 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2ALOX5APATM
SCHEMBL4109907 0.81 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL867262 0.81 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL867263 0.81 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL4109909 0.81 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL11172012 0.79 ATM (0.53) ALOX5PTGS1PTGS2ALOX5APATM
SCHEMBL11172009 0.79 ATM (0.53) ALOX5PTGS1PTGS2ALOX5APATM
SCHEMBL11155936 0.78 ATM (0.54) ALOX5PTGS1PTGS2ALOX5APATM
SCHEMBL9810862 0.76 ALOX5 (0.50) ALOX5PTGS1PTGS2ALOX5APATM
SCHEMBL9810865 0.76 ALOX5 (0.50) ALOX5PTGS1PTGS2ALOX5APATM

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-4370277-A Phenoxy-cinnamyl alcohols HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-25 US disclosed