SCHEMBL9449455

SCHEMBL9449455

Cc1cccc2c1-c1ccccc1C2CCC(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.43
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR2A P28223 3/20 0.35
EGFR P00533 2/20 0.33
HRH1 P35367 2/20 0.33
PBRM1 Q86U86 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
SRC P12931 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACLY P53396 2/20 0.32

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
SCHEMBL9449363 0.87 EGFR (0.45) MYCHTR7HTR2BHTR2AEGFR
SCHEMBL8993450 0.83 HTR2A (0.45) HTR2AEGFRHRH1CA1CA2
SCHEMBL9449370 0.83 TDO2 (0.37) MYCHTR7HTR2BHTR2AEGFR
Hydrochloric Acid SCHEMBL5358965 0.80 HTR2A (0.42) MYCHTR7HTR2BHTR2AHRH1
Hydrochloric Acid SCHEMBL5363315 0.80 HTR2A (0.42) MYCHTR7HTR2BHTR2AHRH1
SCHEMBL9449558 0.79 EGFR (0.40) MYCHTR7HTR2BEGFRCYP1A2
SCHEMBL9449421 0.77 HTR2A (0.42) MYCHTR7HTR2BHTR2APBRM1
SCHEMBL9449877 0.75 HTR2A (0.36) MYCHTR7HTR2BHTR2AHRH1
SCHEMBL27335604 0.75 HTR2A (0.44) MYCHTR7HTR2BHTR2APBRM1
SCHEMBL8857191 0.75 HTR2A (0.42) MYCHTR7HTR2BHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531443-A4 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN 1993-04-21 EP disclosed
EP-0531443-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN NOVA PHARMACEUTICAL CORPORATION (US) 1993-03-17 EP disclosed
US-5079260-A Side effect reduction; fluorene derivatives NOVA PHARMACEUTICAL CORPORATION (US) 1992-01-07 US disclosed
WO-1991018596-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN WEITZBERG MOSHE (US) 1991-12-12 WO disclosed