SCHEMBL28166402

SCHEMBL28166402

CCOc1cc(C2CC2)c(C2CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTR2A P28223 3/20 0.44
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CALM1 P0DP23 1/20 0.42
PDE4A P27815 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TRPC6 Q9Y210 1/20 0.41
ENPP1 P22413 1/20 0.41
HPGD P15428 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TSHR P16473 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL28662301 0.79 KDM4E (0.57) KDM4EGAAMAPTHTR2AMAPK1
SCHEMBL28311309 0.79 KDM4E (0.57) KDM4EGAAMAPTHTR2AMAPK1
SCHEMBL16056064 0.77 ALDH1A1 (0.51) KDM4EGAAHTR2AALDH1A1HPGD
SCHEMBL16056426 0.77 HTR2A (0.35) KDM4EMAPTHTR2AMAPK1CASP1
SCHEMBL16056256 0.75 TDP1 (0.49) KDM4EGAAMAPTCASP1ALDH1A1
SCHEMBL16056393 0.74 ALDH1A1 (0.49) KDM4EGAAHTR2AMAPK1ALDH1A1
SCHEMBL10303267 0.74 FPR2 (0.39) KDM4EGAAMAPTHTR2ACALM1
SCHEMBL22029967 0.74 MAPT (0.70) KDM4EGAAMAPTHTR2AMAPK1
SCHEMBL28848463 0.73 GAA (0.44) GAAMAPTHTR2AALDH1A1HPGD
SCHEMBL17535937 0.73 HTR2A (0.39) MAPTHTR2AMAPK1ALDH1A1APOBEC3G

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-105612158-B The somatostatin receptor hypotype 5 (SSTR5) antagonist 武田药品工业株式会社 2017-06-30 CN disclosed