SCHEMBL7607095

SCHEMBL7607095

Cc1ccc(C)c2c1-c1ccccc1C2CCC1c2ccccc2-c2c(C)ccc(C)c21.[Zr]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.42
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PBRM1 Q86U86 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HRH1 P35367 3/20 0.32
CYP3A4 P08684 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
HBB P68871 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ELANE P08246 1/20 0.32
HTR2C P28335 2/20 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
Hydrochloric Acid SCHEMBL7604666 0.95 HTR2A (0.41) HTR2ACA1CA2PBRM1TNKS2
SCHEMBL8857191 0.80 HTR2A (0.42) HTR2ACA1CA2PBRM1TNKS2
SCHEMBL7606771 0.80 HTR2A (0.44) HTR2ACA1CA2PBRM1TNKS2
Hydrochloric Acid SCHEMBL5366067 0.78 HTR2A (0.40) HTR2ACA1CA2PBRM1TNKS2
SCHEMBL27379567 0.76 HTR2A (0.38) HTR2ACA1CA2PBRM1TNKS2
Hydrochloric Acid SCHEMBL5358965 0.75 HTR2A (0.42) HTR2ACA1CA2PBRM1TNKS2
Hydrochloric Acid SCHEMBL5363315 0.75 HTR2A (0.42) HTR2ACA1CA2PBRM1TNKS2
Hydrochloric Acid SCHEMBL5352775 0.75 HTR2A (0.42) HTR2ACA1CA2PBRM1TNKS2
Hydrochloric Acid SCHEMBL5352133 0.75 HTR2A (0.42) HTR2ACA1CA2PBRM1TNKS2
Hydrochloric Acid SCHEMBL9170197 0.73 HTR2A (0.32) HTR2A

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-0524624-B1 Use of organometallic flurorenyl compounds. PHILLIPS PETROLEUM CO (US) 2002-05-15 EP claimed