SCHEMBL7053637

SCHEMBL7053637

CCN(CCOC(=O)C(C)(C)C)c1ccc(N=C2C=CC(=O)C(Cl)=C2)c(C)c1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR2 Q92731 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
SCHEMBL7053644 0.86 ALDH1A1 (0.31) MEN1USP2ALDH1A1ESR1POLB
SCHEMBL13088507 0.84 MAPT (0.41) MEN1USP2ALDH1A1ESR1POLB
SCHEMBL6906675 0.84 MAPT (0.41) MEN1USP2ALDH1A1ESR1POLB
SCHEMBL6906678 0.84 MAPT (0.41) MEN1USP2ALDH1A1ESR1POLB
SCHEMBL5512969 0.84 ALDH1A1 (0.40) MEN1USP2ALDH1A1ESR1POLB
SCHEMBL5512970 0.84 ALDH1A1 (0.40) MEN1USP2ALDH1A1ESR1POLB
SCHEMBL7049816 0.83 ALDH1A1 (0.36) MEN1USP2ALDH1A1ESR1POLB
SCHEMBL6914757 0.83 ALDH1A1 (0.36) MEN1USP2ALDH1A1ESR1POLB
SCHEMBL6912711 0.81
SCHEMBL6911448 0.80 ALDH1A1 (0.30) MEN1USP2ALDH1A1ESR1POLB

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
EP-0768860-B1 DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE MINNESOTA MINING & MFG (US) 2003-04-23 EP disclosed