SCHEMBL28070094

SCHEMBL28070094

CCCCOCCOCCO.COCC(C)O.COCCOC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 3/20 0.36
ABCB11 O95342 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRD1 P41143 1/20 0.36
SCN5A Q14524 1/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35

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
SCHEMBL9067467 0.92 ALDH1A1 (0.53) TSHRALDH1A1MAPTCYP3A4ABCB11
Butoxyethanol SCHEMBL18092341 0.89 TSHR (0.59) TSHRALDH1A1MAPTMEN1KMT2A
2-Methoxyethanol SCHEMBL11059063 0.85 ALDH1A1 (0.57) TSHRALDH1A1MAPTMEN1KMT2A
2-Methoxyethanol SCHEMBL22660193 0.85 ALDH1A1 (0.57) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL10771057 0.85 TSHR (0.63) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL1315172 0.84 TSHR (0.57) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL273114 0.84 TSHR (0.65) TSHRALDH1A1MAPTMEN1KMT2A
Butoxyethanol SCHEMBL17838064 0.84 TSHR (0.65) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL16095003 0.84 ALDH1A1 (0.63) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL6335761 0.84 ALDH1A1 (0.63) TSHRALDH1A1MAPTMEN1KMT2A

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-105745274-A Semiconductor resin composition, semiconductor resin film, and semiconductor device using same 东丽株式会社 2016-07-06 CN disclosed