SCHEMBL7076777

SCHEMBL7076777

OC(Cc1ncc[nH]1)(Cc1ncc[nH]1)Cc1ncc[nH]1.OC(c1ncc[nH]1)(c1ncc[nH]1)c1ncc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
CYP19A1 P11511 1/20 0.47
ALOX15 P16050 1/20 0.38
TAAR1 Q96RJ0 9/20 0.37
TBXAS1 P24557 2/20 0.36
TERT O14746 1/20 0.35
HTR1A P08908 1/20 0.33
KLK1 P06870 1/20 0.31
KLK5 Q9Y337 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 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
SCHEMBL3074784 0.89 FDPS (0.61) FDPSALOX15TAAR1TBXAS1TERT
SCHEMBL660544 0.82 CYP19A1 (0.62) FDPSCYP19A1ALOX15TAAR1
SCHEMBL16673143 0.72 FDPS (0.55) FDPSALOX15TAAR1TBXAS1TERT
SCHEMBL7950655 0.70 FDPS (0.42) FDPSCYP19A1ALOX15TAAR1TBXAS1
SCHEMBL8820621 0.69 FDPS (0.52) FDPSALOX15TAAR1TBXAS1TERT
SCHEMBL3077019 0.69 FDPS (0.52) FDPSALOX15TAAR1TBXAS1TERT
SCHEMBL4556620 0.69 FDPS (0.52) FDPSALOX15TAAR1TBXAS1TERT
SCHEMBL2622405 0.69 FDPS (0.52) FDPSALOX15TAAR1TBXAS1TERT
SCHEMBL1472092 0.68 FDPS (1.00) FDPSALOX15TBXAS1
SCHEMBL6090949 0.67 CYP19A1 (0.64) CYP19A1TAAR1TSHR

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-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed