SCHEMBL21765896

SCHEMBL21765896

C=CCCCCCCCC(CCCCBr)CCCCCCCC=C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.35
ABCC4 O15439 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
USP2 O75604 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPA1 O75762 2/20 0.33
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 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
SCHEMBL7526836 0.88 TSHR (0.50) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL14716699 0.88 TSHR (0.50) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL517698 0.85 TSHR (0.52) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL5574427 0.85 TSHR (0.52) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL8834879 0.85 TSHR (0.52) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL25220704 0.85 TSHR (0.52) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL5405862 0.85 TSHR (0.52) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL5571446 0.85 TSHR (0.52) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL215267 0.85 TSHR (0.52) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL5575307 0.85 TSHR (0.52) TSHRMAPTABCC4ALDH1A1LMNA

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-2020039631-A1 BIODEGRADABLE COMPOUND, LIPID PARTICLES, COMPOSITION CONTAINING LIPID PARTICLES, AND KIT 株式会社 東芝 2020-02-27 WO disclosed