SCHEMBL6065377

SCHEMBL6065377

CCCCOc1ccc(C)cc1CC(CC)CCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 7/20 0.49
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
THRB P10828 1/20 0.49
POLB P06746 3/20 0.45
GPR55 Q9Y2T6 1/20 0.45
L3MBTL1 Q9Y468 6/20 0.43
MAPK1 P28482 4/20 0.43
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
Phosphoric Acid SCHEMBL4712956 0.92 L3MBTL1 (0.44) ALDH1A1MAPTGAANPSR1THRB
SCHEMBL2150099 0.85 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1THRB
SCHEMBL7530042 0.81 NR3C1 (0.43) ALDH1A1MAPTGAANPSR1THRB
SCHEMBL15702915 0.81 ALDH1A1 (0.50) ALDH1A1MAPTGAANPSR1THRB
SCHEMBL15703016 0.81 ALDH1A1 (0.50) ALDH1A1MAPTGAANPSR1THRB
Phosphoric Acid SCHEMBL4711372 0.80 PRSS1 (0.39) ALDH1A1MAPTGAANPSR1THRB
SCHEMBL11345868 0.79 MAPT (0.57) ALDH1A1MAPTGAANPSR1THRB
Phosphoric Acid SCHEMBL4710580 0.77 ALDH1A1 (0.35) ALDH1A1MAPTGAANPSR1THRB
SCHEMBL27782322 0.77 PTGES (0.43) PTGESALOX5PPARGCYP1A2CYP2D6
SCHEMBL14607916 0.76 MAPT (0.55) ALDH1A1MAPTGAANPSR1THRB

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-2006098777-A1 POLYMER SHEETS COMPRISING HIGHER ORDER PHOSPHATE ESTERS SOLUTIA INCORPORATED (US) 2006-09-21 WO disclosed