SCHEMBL5490130

SCHEMBL5490130

C=C(C)C(=O)OOC(C)N

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.32
SLC7A5 Q01650 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
SCHEMBL27828363 0.81 TSHR (0.46) TSHRALDH1A1TDP1THRB
SCHEMBL5494382 0.79 TSHR (0.45) TSHRALDH1A1TDP1THRB
SCHEMBL27689257 0.79 TSHR (0.45) TSHRALDH1A1TDP1THRB
SCHEMBL27670287 0.79 TSHR (0.45) TSHRALDH1A1TDP1THRB
SCHEMBL3364351 0.78 SLC7A5 (0.45) TSHRALDH1A1TDP1SLC7A5
SCHEMBL111244 0.76
SCHEMBL20482727 0.76 ALDH1A1 (0.46) TSHRALDH1A1THRB
Bromide SCHEMBL4441945 0.74 TSHR (0.45) TSHRALDH1A1TDP1THRBSLC7A5
Ammonia Solution, Strong SCHEMBL22612066 0.74 TSHR (0.45) TSHRALDH1A1TDP1THRBSLC7A5
Hydrochloric Acid SCHEMBL28562796 0.74 TSHR (0.45) TSHRALDH1A1TDP1THRBSLC7A5

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-20070072124-A1 Optical recording composition, production method thereof and optical recording medium FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed