SCHEMBL27435845

SCHEMBL27435845

C=CC(C)CCCOC(=O)CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
BLM P54132 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
MAPT P10636 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
HTR2C P28335 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL27216289 0.81 KDM4C (0.41) TSHRBLMADRA2AADRA1AMAPT
SCHEMBL8611593 0.80 ADRA2A (0.44) TSHRBLMADRA2AADRA1AMAPT
SCHEMBL5360458 0.80 EGLN1 (0.38) TSHRBLMSLC6A2SLC6A4SLC6A3
SCHEMBL23576313 0.79 TSHR (0.47) TSHRBLMSLC6A2SLC6A4SLC6A3
SCHEMBL7773181 0.77 ABCC4 (0.47) TSHRBLMSLC6A2SLC6A4SLC6A3
SCHEMBL8842756 0.75 TSHR (0.38) TSHRBLMSLC6A2SLC6A4SLC6A3
SCHEMBL27554254 0.75 ABCC4 (0.50) TSHRMEN1NFKB1KMT2AMAPT
SCHEMBL28690548 0.75 NPC1 (0.39) TSHRBLMADRA2AADRA1AMAPT
SCHEMBL8465117 0.75 CYP1A2 (0.48) TSHRKMT2AMAPTTDP1DGKA
SCHEMBL848602 0.75 KDM4C (0.46) BLMADRA2AADRA1AMAPTKDM6B

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
WO-2024134920-A1 INKJET INK COMPOSITION, RECORDED ARTICLE, INKJET RECORDING METHOD, AND INKJET RECORDING SYSTEM コニカミノルタ株式会社 2024-06-27 WO disclosed