SCHEMBL9633548

SCHEMBL9633548

CC1c2cc(Cl)ccc2Oc2ccc(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.54
HTR2C P28335 10/20 0.50
HTR2A P28223 9/20 0.50
HRH1 P35367 5/20 0.50
ADRA2A P08913 4/20 0.50
ADRA2C P18825 4/20 0.50
HTR2B P41595 4/20 0.50
DRD2 P14416 3/20 0.50
DRD1 P21728 3/20 0.50
DRD3 P35462 3/20 0.50
HTR1A P08908 2/20 0.50
ADRA2B P18089 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
KCNH2 Q12809 2/20 0.50
CHRM2 P08172 1/20 0.50
GABRA1 P14867 1/20 0.50
DRD4 P21917 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50

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
SCHEMBL9633544 0.78 AHR (0.54) AHRHTR2CHTR2AHRH1ADRA2A
SCHEMBL8993316 0.75 S100A4 (0.41) AHRHTR2CHTR2AHRH1ADRA2A
SCHEMBL30633032 0.75 S100A4 (0.41) AHRHTR2CHTR2AHRH1ADRA2A
SCHEMBL6906648 0.74 ALDH1A1 (0.44) DRD2DRD3DRD4MAPK1
SCHEMBL16385819 0.74 HTR2A (0.43) HTR2CHTR2AHRH1ADRA2AADRA2C
SCHEMBL9631975 0.74 AHR (0.48) AHRHTR2CHTR2AHRH1ADRA2A
SCHEMBL1146208 0.74 DRD2 (0.85) AHRHTR2CHTR2AHRH1ADRA2A
SCHEMBL3874189 0.72 AHR (0.47) AHRHTR2CHTR2AHRH1ADRA2A
SCHEMBL1146066 0.72 HTR2C (0.53) AHRHTR2CHTR2AHRH1ADRA2A
SCHEMBL11343247 0.72 IDO1 (0.44) HTR2CHTR2AHRH1ADRA2AADRA2C

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-5101059-A Xanthene compounds RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-03-31 US disclosed
WO-1991008190-A1 AMINO ACID PROTECTING GROUPS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-06-13 WO disclosed