SCHEMBL28919635

SCHEMBL28919635

CCCCCCOC1C=Cc2cccc3cccc1c23

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EYA2 O00167 1/20 0.43
GBA1 P04062 2/20 0.34
MCHR1 Q99705 2/20 0.34
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
KCNH2 Q12809 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PPARG P37231 2/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
RET P07949 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
SCHEMBL28602300 0.99 EYA2 (0.41) EYA2GBA1MCHR1TSHRTDP1
SCHEMBL27444917 0.89 MEN1 (0.33) EYA2TDP1RET
SCHEMBL27559211 0.87 MEN1 (0.33) EYA2TDP1RET
SCHEMBL27819841 0.84 EYA2 (0.50) EYA2GBA1TSHRALDH1A1LMNA
SCHEMBL31740759 0.84 EYA2 (0.50) EYA2GBA1TSHRALDH1A1LMNA
SCHEMBL5031504 0.84 EYA2 (0.50) EYA2GBA1TSHRALDH1A1LMNA
SCHEMBL5031539 0.83 EYA2 (0.48) EYA2GBA1TSHRTDP1ALDH1A1
SCHEMBL27554839 0.82 MCHR1 (0.32) EYA2MCHR1TDP1
SCHEMBL27996337 0.80
SCHEMBL28875486 0.79 ALDH1A1 (0.40) TSHRTDP1ALDH1A1LMNACYP3A4

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-113166043-A Electrolyte for sulfur-based magnesium battery 富士胶片和光纯药株式会社 2021-07-23 CN disclosed