SCHEMBL7831707

SCHEMBL7831707

CCCCC(CC)C([O])OC(C)(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.35
CA1 P00915 4/20 0.35
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSK P43235 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
SCHEMBL15524840 0.74 CA2 (0.35) CA2CA1MAPK1TSHRSMN1; SMN2
SCHEMBL11817761 0.72 ALDH1A1 (0.46) CA2CA1MAPK1TSHRSMN1; SMN2
SCHEMBL3093605 0.71 TSHR (0.41) CA2CA1MAPK1TSHRSMN1; SMN2
SCHEMBL11818913 0.70 ALDH1A1 (0.43) CA2CA1MAPK1TSHRSMN1; SMN2
SCHEMBL5613132 0.69 CA1 (0.31) CA2CA1TSHRSMN1; SMN2CYP3A4
SCHEMBL9111527 0.68 ALDH1A1 (0.39) CA2CA1MAPK1TSHRSMN1; SMN2
SCHEMBL565423 0.68 DNM1 (0.41) CA2CA1
SCHEMBL5496711 0.67 ALDH1A1 (0.42) CA2CA1MAPK1TSHRSMN1; SMN2
SCHEMBL3097815 0.67 TSHR (0.38) CA2CA1MAPK1TSHRSMN1; SMN2
SCHEMBL8117589 0.67 CA2 (0.37) CA2CA1MAPK1TSHRSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858318-B1 COSMETIC PREPARATIONS CONTAINING PHOTOSTABLE UV-A FILTERS BASF AG (DE) 2001-06-06 EP disclosed
US-6007828-A SUNSCREEN AGENT MIXTURE CONTAINING 1,1-DINITRILO-2,2-DIPHENYL ETHYLENE DERIVATIVE IN A COSMETIC CARRIER BASF AKTIENGESELLSCHAFT (DE) 1999-12-28 US disclosed
EP-0891766-A1 Light-screening agents F. HOFFMANN-LA ROCHE AG (CH) 1999-01-20 EP disclosed