SCHEMBL4411554

SCHEMBL4411554

CC(C)(C)C1=C[AsH]C=C1O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MCL1 Q07820 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP2A3 Q93084 1/20 0.31

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
SCHEMBL1025823 0.49 ALDH1A1 (0.38) ALDH1A1MAPTMCL1ATM
SCHEMBL31192235 0.47 ALDH1A1 (0.77) ALDH1A1MAPTKDM4ECYP1A2ALOX15
SCHEMBL70068 0.47 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ECYP1A2ALOX15
SCHEMBL6355084 0.47 ALDH1A1 (0.77) ALDH1A1MAPTKDM4ECYP1A2ALOX15
SCHEMBL38604 0.47 ALOX15 (1.00) ALDH1A1MAPTKDM4ECYP1A2ALOX15
SCHEMBL30938109 0.47 CA2 (0.68) ALDH1A1MAPTKDM4ECYP1A2ALOX15
SCHEMBL13880438 0.46 ALDH1A1 (0.35) ALDH1A1MAPTKDM4ECYP1A2ALOX15
SCHEMBL20657093 0.46 CA2 (0.65) ALDH1A1MAPTATMKDM4ECYP1A2
SCHEMBL93161 0.41 GABRA1 (0.69) ALDH1A1MAPTKDM4ECYP1A2ALOX15
SCHEMBL437448 0.41

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-2009134989-A2 ANTIMONY COMPOUNDS USEFUL FOR DEPOSITION OF ANTIMONY-CONTAINING MATERIALS ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2009-11-05 WO disclosed