SCHEMBL25030516

SCHEMBL25030516

N#CCCCCOCCCCCCCCOCCCCCl

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
LTB4R Q15722 1/20 0.34
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 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
SCHEMBL6612892 0.88 TSHR (0.41) TSHRCYP3A4LTB4RALDH1A1TDP1
SCHEMBL2537711 0.88 TSHR (0.41) TSHRCYP3A4LTB4RALDH1A1TDP1
SCHEMBL6613066 0.88 TSHR (0.41) TSHRCYP3A4LTB4RALDH1A1TDP1
SCHEMBL16926969 0.88 TSHR (0.41) TSHRCYP3A4LTB4RALDH1A1TDP1
SCHEMBL28914857 0.85 TSHR (0.39) TSHRCYP3A4LTB4RALDH1A1TDP1
SCHEMBL850797 0.85
SCHEMBL7454479 0.85 TSHR (0.56) TSHRCYP3A4ALDH1A1TDP1MAPT
SCHEMBL11225741 0.85
SCHEMBL1460543 0.85 TSHR (0.43) TSHRCYP3A4LTB4RALDH1A1TDP1
SCHEMBL14351852 0.85 TSHR (0.56) TSHRCYP3A4ALDH1A1TDP1MAPT

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-2023017483-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 WO disclosed