SCHEMBL7553448

SCHEMBL7553448

OC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)c1cccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.46
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
OPRK1 P41145 2/20 0.41
KCNH2 Q12809 2/20 0.41
ADRA1A P35348 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP3A5 P20815 1/20 0.40
TSHR P16473 6/20 0.39
CYP19A1 P11511 2/20 0.38
NR3C1 P04150 2/20 0.36
KCNA3 P22001 2/20 0.36
MAPK1 P28482 3/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 3/20 0.35
HIF1A Q16665 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 2/20 0.35

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
SCHEMBL19130233 0.83 MEN1 (0.45) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL17295893 0.83 MEN1 (0.45) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL6369696 0.82 CYP3A4 (0.47) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL4101168 0.82 KCNN4 (0.47) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL5864393 0.82 KCNN4 (0.55) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL11260814 0.82 KCNN4 (0.55) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL5742924 0.81 KCNN4 (0.46) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL11598183 0.79 P2RX7 (0.42) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL8055207 0.77 CYP2C9 (0.50) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL699760 0.76 KCNN4 (0.59) KCNN4HTR2AHTR2COPRK1KCNH2

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
US-20020106605-A1 Hand-held microwave intra-oral dental system SEGHATOL MARC (CA) 2002-08-08 US disclosed