SCHEMBL6979434

SCHEMBL6979434

C=CCCCC[C](C)CC=CC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ABCC4 O15439 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LPAR3 Q9UBY5 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33
CNR1 P21554 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL9133433 0.79 MAPT (0.42) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL1521680 0.74
SCHEMBL1236748 0.74
SCHEMBL6474317 0.74
SCHEMBL847381 0.73 MAPT (0.48) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL847380 0.73 MAPT (0.48) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL669112 0.72 TSHR (0.55) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL1521429 0.72 TSHR (0.55) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL21219349 0.72 TSHR (0.55) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL21219314 0.72 TSHR (0.55) MAPTABCC4ALDH1A1LMNATSHR

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
EP-1080089-B1 PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES BASF AG (DE) 2003-11-05 EP disclosed