SCHEMBL2521792

SCHEMBL2521792

C=CCCCCCCCCCCC(C)(C)[O]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
MAPT P10636 3/20 0.41
ABCC4 O15439 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
ACLY P53396 1/20 0.38
LPAR3 Q9UBY5 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
TRPA1 O75762 2/20 0.34
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL9211254 0.81 TSHR (0.48) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL9211215 0.81 TSHR (0.48) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL2521791 0.80 TSHR (0.48) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL28075454 0.80 TSHR (0.52) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL28075368 0.80 TSHR (0.52) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL23539727 0.80 TSHR (0.52) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL26513499 0.80 TSHR (0.52) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL8384875 0.79
Ammonia Solution, Strong SCHEMBL3120827 0.78 TSHR (0.50) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL3119005 0.77 TSHR (0.44) 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
US-20110251357-A1 ULTRAVIOLET TRANSMISSIVE POLYHEDRAL SILSESQUIOXANE POLYMERS PANASONIC ELECTRIC WORKS CO., LTD. 2011-10-13 US disclosed