SCHEMBL9688889

SCHEMBL9688889

[C]1c2ccccc2C1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.34
ALDH1A1 P00352 1/20 0.32
PRCP P42785 1/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP11B2 P19099 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30
CYP2C19 P33261 2/20 0.30
KDM1A O60341 1/20 0.30
CYP2B6 P20813 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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
SCHEMBL7692941 0.76 MAPK1 (0.35) EDNRAALDH1A1GAATSHRMEN1
SCHEMBL217149 0.70 EDNRA (0.31) EDNRA
SCHEMBL10474594 0.65
SCHEMBL5708281 0.65 CA1 (0.40) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL1028465 0.64 EDNRA (0.32) EDNRAALDH1A1
SCHEMBL15879272 0.62 MEN1 (0.39) MEN1KMT2ACYP2D6CYP3A4
SCHEMBL11502045 0.62 LMNA (0.37) EDNRAALDH1A1PRCPMAPTTSHR
SCHEMBL7918631 0.62 CYP1A2 (0.48) EDNRAALDH1A1GAAMAPTMEN1
SCHEMBL217130 0.62 HTR2A (0.31)
SCHEMBL7133799 0.62 MAOA (0.33) GAAMEN1KMT2AMAOAMAOB

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
US-5153249-A Having an ethylene content ranging form 2 to 6%, benzylidene sorbitol and talc; radiation transparent MITSUI TOATSU CHEMICALS, INC. (JP) 1992-10-06 US disclosed