SCHEMBL27771990

SCHEMBL27771990

CC(C)c1ccc(Cc2cccc3c[c]sc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
SLC5A2 P31639 5/20 0.33
SLC5A1 P13866 3/20 0.33
PNP P00491 1/20 0.33
COPS5 Q92905 1/20 0.33
IDO1 P14902 2/20 0.33
TP53 P04637 1/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
KCNN2 Q9H2S1 1/20 0.30
KCNN3 Q9UGI6 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
PAX8 Q06710 1/20 0.30
NOD2 Q9HC29 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL27771986 0.82 TLR8 (0.33) HTR2A
SCHEMBL3091176 0.72 PNP (0.41) HTR1DHTR1BSLC5A2SLC5A1PNP
SCHEMBL3092049 0.71 SLC5A2 (0.33) HTR1DHTR1BSLC5A2SLC5A1PNP
SCHEMBL8637440 0.71 IDO1 (0.42) HTR1DHTR1BSLC5A2SLC5A1PNP
SCHEMBL3074353 0.71 SLC5A2 (0.34) HTR1DHTR1BSLC5A2SLC5A1PNP
SCHEMBL3093428 0.70 SLC5A2 (0.35) HTR1DHTR1BSLC5A2SLC5A1PNP
SCHEMBL5544506 0.70 GABRA1 (0.39) HTR2CHTR2BKCNN2KCNN3
SCHEMBL24203430 0.66 SLC5A1 (0.42) HTR1DHTR1BSLC5A2SLC5A1PNP
SCHEMBL3956146 0.66 IDO1 (0.56) HTR1DHTR1BCOPS5IDO1RAB9A
SCHEMBL2581905 0.65 KEAP1 (0.63) SLC5A2SLC5A1IDO1RAB9A

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-101495494-A Fused ring spiroketal derivative and use thereof as therapeutic agent for diabetes CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-07-29 CN disclosed