SCHEMBL28844169

SCHEMBL28844169

O=C1OC(=O)c2cc(C3CCCc4ccccc43)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GID4 Q8IVV7 1/20 0.51
▸ HAO1 Q9UJM8 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ ADRA2A P08913 2/20 0.41
▸ ADRA1A P35348 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ ALOX15 P16050 2/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ IDO1 P14902 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL27870106 0.81 GID4 (0.37) GID4HAO1MAPK1MAPK14ALOX15
SCHEMBL22319970 0.75 GID4 (0.61) GID4HAO1MAPK1MAPK14ADRA2A
Phthalic Anhydride SCHEMBL27782305 0.74 ALOX15 (0.44) ALOX15ALDH1A1IDO1HTTTDP1
SCHEMBL8238524 0.74 SLC6A2 (0.57) GID4ADRA2AADRA1ACYP2D6HTR1A
SCHEMBL4732235 0.74 SLC6A2 (0.57) GID4ADRA2AADRA1ACYP2D6HTR1A
SCHEMBL29757864 0.74 SLC6A2 (0.57) GID4ADRA2AADRA1ACYP2D6HTR1A
SCHEMBL5029704 0.74 SLC6A2 (0.57) GID4ADRA2AADRA1ACYP2D6HTR1A
SCHEMBL29842306 0.73 GID4 (0.62) GID4HAO1MAPK1MAPK14ADRA2A
SCHEMBL395087 0.73 GID4 (0.62) GID4HAO1MAPK1MAPK14ADRA2A
Hydrochloric Acid SCHEMBL5955564 0.72 SLC6A2 (0.56) GID4MAPK1ADRA2AADRA1ACYP2D6

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-106565942-A Preparing method of POSS modified poly-butylene succinate 上海航天设备制造总厂 2017-04-19 — — CN disclosed
Send feedback