SCHEMBL2521791

SCHEMBL2521791

C=CCCCCCCCCCC(C)([O])CC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.38
ABCC4 O15439 1/20 0.38
LMNA P02545 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
ACLY P53396 1/20 0.34
TRPA1 O75762 1/20 0.31
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2521792 0.80 TSHR (0.48) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL1229634 0.79 ALDH1A1 (0.42) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL1230554 0.76 ALDH1A1 (0.39) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL6796989 0.76 TSHR (0.45) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL9211215 0.76 TSHR (0.48) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL9211254 0.76 TSHR (0.48) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL23539727 0.75 TSHR (0.52) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL6159229 0.75 GGPS1 (0.48) TSHRLPAR3
SCHEMBL26513499 0.75 TSHR (0.52) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL28075454 0.75 TSHR (0.52) TSHRALDH1A1MAPTABCC4LMNA

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