SCHEMBL8517403

SCHEMBL8517403

CCCc1cc2ccccc2c(S)c1CCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.36
HTR2A P28223 1/20 0.36
NCEH1 Q6PIU2 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
TLR8 Q9NR97 2/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1758996 0.87 TLR8 (0.45) GPR84ALDH1A1KDM4EHPGDATM
SCHEMBL299192 0.84 GPR84 (0.49) GPR84ALDH1A1KDM4EHPGDGAA
SCHEMBL5254485 0.81 GPR84 (0.47) GPR84ALDH1A1KDM4EHPGDGAA
SCHEMBL8372805 0.80 GPR84 (0.43) GPR84ALDH1A1KDM4EHPGDGAA
SCHEMBL5254481 0.79 GPR84 (0.49) GPR84ALDH1A1KDM4EHPGDGAA
SCHEMBL8372800 0.79 GPR84 (0.46) GPR84ALDH1A1KDM4EHPGDGAA
SCHEMBL3555195 0.79 GPR84 (0.49) GPR84ALDH1A1KDM4EHPGDGAA
SCHEMBL6913541 0.79 GPR84 (0.49) GPR84ALDH1A1KDM4EHPGDGAA
SCHEMBL8372807 0.79 GPR84 (0.46) GPR84ALDH1A1KDM4EHPGDGAA
SCHEMBL8517709 0.79 ATM (0.41) GPR84ALDH1A1KDM4EGAAATM

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-0896050-A1 Lubricating oil composition comprising a specific base oil and an oxidation inhibitor NIPPON OIL CO., LTD. (JP) 1999-02-10 EP disclosed