SCHEMBL11209008

SCHEMBL11209008

C=C(CC)c1ccccc1CCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TYR P14679 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 4/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
TLR8 Q9NR97 1/20 0.36
CTRC Q99895 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
BID P55957 1/20 0.35

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
SCHEMBL21310099 0.93 LIPG (0.54) LIPGCYP3A4TYRTHRATHRB
SCHEMBL19291089 0.89 FOLH1 (0.36) LIPGCYP3A4CYP2D6CYP2C9HTT
SCHEMBL9806328 0.86 LIPG (0.48) LIPGCYP3A4CYP2D6CYP2C9TYR
SCHEMBL9752259 0.84 LIPG (0.41) LIPGCYP3A4CYP2D6CYP2C9TYR
SCHEMBL721716 0.83 LIPG (0.46) LIPGCYP3A4CYP2D6CYP2C9TYR
SCHEMBL31093056 0.83 LIPG (0.46) LIPGCYP3A4CYP2D6CYP2C9TYR
SCHEMBL10585766 0.83 CYP3A4 (0.41) LIPGCYP3A4CYP2D6CYP2C9TYR
SCHEMBL10385885 0.83 CYP3A4 (0.41) LIPGCYP3A4CYP2D6CYP2C9TYR
SCHEMBL8741678 0.82 LIPG (0.50) LIPGTHRATHRBALOX5PTGS2
SCHEMBL3482106 0.82 LIPG (0.39) LIPGCYP3A4CYP2D6CYP2C9TYR

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
WO-1983004038-A1 POLYESTER COMPOSITION ETHYL CORPORATION (US) 1983-11-24 WO disclosed