SCHEMBL27419035

SCHEMBL27419035

CCCCC1=C(c2ccccc2Cl)CC=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TLR8 Q9NR97 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PTGES O14684 1/20 0.32
HPGD P15428 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32
CYP2A6 P11509 1/20 0.32
CFTR P13569 3/20 0.32
PTAFR P25105 1/20 0.31
MAOB P27338 1/20 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
SCHEMBL27316095 0.82 ELANE (0.35) TLR8LMNAHPGD
SCHEMBL27518178 0.81 PSMB5 (0.35) HSD11B1KDM4E
SCHEMBL28286476 0.78 HSD11B1 (0.37) HSD11B1ADORA3HTR2A
SCHEMBL27635627 0.77 IDO1 (0.36) TLR8HTR1A
SCHEMBL6266838 0.72 APOBEC3A (0.31)
SCHEMBL8461849 0.71
SCHEMBL5087592 0.70 CFTR (0.33) TDP1HPGDCFTR
Chlorobenzene SCHEMBL8155712 0.69 TSHR (0.32) ADORA3
Chlorobenzene SCHEMBL8156616 0.69 TSHR (0.32) ADORA3
Chlorobenzene SCHEMBL9168737 0.69 ADORA3 (0.33) ADORA3

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
CN-1112937-A Metallocene catalyst systems, preparation and use PHILLIPS PETROLEUM CO (US) 1995-12-06 CN disclosed