SCHEMBL6832697

SCHEMBL6832697

N=C(OC12CC3CC(CC(C3)C1)C2)N(C(N)=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.33
CYP17A1 P05093 2/20 0.32
CA2 P00918 1/20 0.32
NAAA Q02083 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
EPHX2 P34913 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL3071705 0.79 ALDH1A1 (0.37) ALDH1A1TSHREPHX2GRIN2DGRIN3B
SCHEMBL6687971 0.78 GRIN2D (0.42) ALDH1A1TSHREPHX2GRIN2DGRIN3B
SCHEMBL6687969 0.73 THRB (0.39) ALDH1A1TSHREPHX2GRIN2DGRIN3B
SCHEMBL113024 0.70 CYP19A1 (0.42) CYP19A1CYP17A1CA2NAAAALDH1A1
Hydrochloric Acid SCHEMBL27804949 0.69 EPHX1 (0.41) CYP19A1CYP17A1CA2NAAAALDH1A1
SCHEMBL3071567 0.68 LMNA (0.42) CYP19A1CYP17A1CA2NAAAALDH1A1
SCHEMBL27571638 0.67 CYP19A1 (0.40) CYP19A1CYP17A1CA2NAAAALDH1A1
SCHEMBL22409653 0.67 ALDH1A1 (0.42) ALDH1A1TSHREPHX2GRIN2DGRIN3B
SCHEMBL10400519 0.67 CYP19A1 (0.42) CYP19A1CYP17A1CA2NAAAALDH1A1
SCHEMBL865315 0.66 NPSR1 (0.48) CYP19A1CYP17A1CA2NAAAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed