SCHEMBL7895286

SCHEMBL7895286

C=COP(=O)(Cc1ccccc1)OC=C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
TSHR P16473 4/20 0.38
KLK8 O60259 1/20 0.37
PLAU P00749 1/20 0.37
KLK2 P20151 1/20 0.37
KLK4 Q9Y5K2 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EPHX2 P34913 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL1077408 0.86 HPGD (0.37) HPGDTSHRKLK8PLAUKLK2
SCHEMBL966722 0.81 HPGD (0.46) HPGDTSHRALOX15
SCHEMBL2527139 0.79 HPGD (0.44) HPGDTSHRALOX15
SCHEMBL11437838 0.79 HPGD (0.44) HPGDTSHRCYP3A4CYP2C19MEN1
SCHEMBL9650634 0.77 HPGD (0.41) HPGDTSHRKLK8PLAUKLK2
SCHEMBL20377363 0.74 HPGD (0.50) HPGDTSHRCYP3A4CYP2C19MEN1
SCHEMBL29050754 0.72 HPGD (0.48) HPGDTSHRKLK8PLAUKLK2
SCHEMBL21638768 0.72 HPGD (0.48) HPGDTSHRKLK8PLAUKLK2
SCHEMBL21638771 0.72 HPGD (0.48) HPGDTSHRKLK8PLAUKLK2
SCHEMBL563700 0.72 HPGD (0.48) HPGDTSHRKLK8PLAUKLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187838-B1 KIT FOR TEETH MAINTENANCE AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION 2001-02-13 US disclosed
US-6001897-A ENAMEL COATING FOR TEETH AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1999-12-14 US disclosed