SCHEMBL687988

SCHEMBL687988

CCCCc1[c]cccc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
HTR2A P28223 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
TLR8 Q9NR97 1/20 0.36
HRH1 P35367 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
CALM1 P0DP23 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
KCNH2 Q12809 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL5332631 0.86 KCNH2 (0.40) HTR2ASIGMAR1POLBKCNH2DRD1
SCHEMBL6468704 0.84 KCNH2 (0.45) HTR2ASIGMAR1L3MBTL1BCL2L1KCNH2
SCHEMBL1900476 0.83 TP53 (0.41) HTR2AHRH1TP53CYP1A2CYP3A4
SCHEMBL677297 0.83 LIPG (0.39) TLR8CYP3A4CYP2C9BCL2L1KCNH2
SCHEMBL10894648 0.81 KCNH2 (0.49) LMNAHTR2ASIGMAR1TP53CYP3A4
SCHEMBL815623 0.81 GABRA1 (0.34) HTR2ACYP3A4CYP2C9POLBBCL2L1
SCHEMBL815763 0.81 LIPG (0.34) TLR8CYP3A4CYP2C9KCNH2
SCHEMBL721135 0.81 CALM1 (0.44) HTR2AHRH1CYP3A4L3MBTL1CALM1
SCHEMBL817104 0.80 LIPG (0.44) HTTTP53CYP3A4TSHRBCL2L1
SCHEMBL7267794 0.80 LIPG (0.44) HTTTP53CYP3A4TSHRBCL2L1

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-1242471-B1 SUBSTITUTED GROUP 4 METAL COMPLEXES, CATALYSTS AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-29 EP claimed