SCHEMBL4891440

SCHEMBL4891440

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.31
LMNA P02545 2/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 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
SCHEMBL5483323 0.86 FDPS (0.44) FDPSALDH1A1CA2MAPK1SMN1; SMN2
SCHEMBL4888576 0.85 ALDH1A1 (0.32) FDPSALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL4892387 0.85 ALDH1A1 (0.33) FDPSALDH1A1SMN1; SMN2LMNAHSD17B10
Hydrochloric Acid SCHEMBL29015267 0.84 FDPS (0.42) FDPSALDH1A1CA2MAPK1SMN1; SMN2
SCHEMBL27907659 0.84 FDPS (0.42) FDPSALDH1A1CA2MAPK1SMN1; SMN2
SCHEMBL4881464 0.81 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL4410300 0.79 FDPS (0.42) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL27878198 0.79 ALDH1A1 (0.32) FDPSALDH1A1SMN1; SMN2
SCHEMBL4887829 0.78 FDPS (0.43) FDPSALDH1A1SMN1; SMN2CA1LMNA
SCHEMBL29282631 0.78 FDPS (0.50) FDPSLMNA

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