SCHEMBL7934390

SCHEMBL7934390

CCCCC(C)OCCOCCOCCO

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 4/20 0.38
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
EPHX2 P34913 3/20 0.35
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL29521447 1.00 TSHR (0.54) TSHRMEN1KMT2ATHRBHTT
SCHEMBL5898720 1.00 TSHR (0.54) TSHRMEN1KMT2ATHRBHTT
SCHEMBL29521561 1.00 TSHR (0.54) TSHRMEN1KMT2ATHRBHTT
SCHEMBL2266299 0.94 MEN1 (0.57) TSHRMEN1KMT2ATHRBHTT
SCHEMBL29521238 0.94 MEN1 (0.57) TSHRMEN1KMT2ATHRBHTT
SCHEMBL29908275 0.94 MEN1 (0.57) TSHRMEN1KMT2ATHRBHTT
SCHEMBL2263661 0.94 MEN1 (0.57) TSHRMEN1KMT2ATHRBHTT
SCHEMBL2264265 0.94 MEN1 (0.57) TSHRMEN1KMT2ATHRBHTT
SCHEMBL4585539 0.93 MEN1 (0.60) TSHRMEN1KMT2ATHRBHTT
SCHEMBL5316580 0.93 MEN1 (0.60) TSHRMEN1KMT2ATHRBHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022074999-A1 SECONDARY BATTERY 株式会社村田製作所 2022-04-14 WO disclosed
EP-1073685-A1 WATER COMPATIBLE ENERGY CURABLE COMPOSITIONS CONTAINING MALEIMIDE DERIVATIVES SUN CHEMICAL CORPORATION (US) 2001-02-07 EP disclosed
WO-1999048928-A1 WATER COMPATIBLE ENERGY CURABLE COMPOSITIONS CONTAINING MALEIMIDE DERIVATIVES SUN CHEMICAL CORPORATION (US) 1999-09-30 WO disclosed