SCHEMBL1614947

SCHEMBL1614947

CC(C)CC(CO)C(C)CO

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
ANPEP P15144 1/20 0.31
TRPA1 O75762 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
SCHEMBL13556918 0.83 TSHR (0.40) TSHRTDP1
SCHEMBL13143420 0.81 TSHR (0.50) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL2495239 0.81
SCHEMBL5016256 0.79 TSHR (0.47) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL765779 0.79 TSHR (0.47) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL17365007 0.79 TSHR (0.47) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL7249315 0.77 TSHR (0.44) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL13944672 0.75 TSHR (0.50) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL8756238 0.75 TSHR (0.50) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL1614311 0.74 LMNA (0.42) TSHRTDP1ALDH1A1MAPK1

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-20110086975-A1 COLORED GEL COAT COMPOSITION AND ARTICLE VALSPAR SOURCING, INC. 2011-04-14 US disclosed