SCHEMBL4890998

SCHEMBL4890998

CCCCC(O)C(O)(CC)C(C)CC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 3/20 0.32
MAPK1 P28482 1/20 0.32
FDPS P14324 1/20 0.32
CA1 P00915 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL28677068 0.74 FDPS (0.35) ALDH1A1CA2MAPK1FDPSCA1
SCHEMBL21578820 0.73 TSHR (0.38) TSHR
SCHEMBL4887788 0.72 FDPS (0.39) ALDH1A1CA2MAPK1FDPSCA1
SCHEMBL790771 0.71 FDPS (0.43) ALDH1A1TSHRCA2MAPK1FDPS
SCHEMBL4217278 0.71 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL29222454 0.69 FDPS (0.44) ALDH1A1TSHRSMN1; SMN2CA2MAPK1
SCHEMBL14978762 0.69 SPHK1 (0.41) TSHRCA2CA1SPHK1
SCHEMBL26102712 0.69 TSHR (0.32) TSHR
SCHEMBL8533665 0.69 CA2 (0.39) ALDH1A1TSHRCA2MAPK1FDPS
SCHEMBL28114048 0.69 CA2 (0.39) ALDH1A1TSHRCA2MAPK1FDPS

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-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed