SCHEMBL7026997

SCHEMBL7026997

CC(C)c1ccccc1C(=O)CCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRB2 P47870 2/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC1 Q13547 1/20 0.38
LMNA P02545 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 3/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL28216154 0.84 HTT (0.49) LMNAMAPTALDH1A1TSHRKMT2A
SCHEMBL1984108 0.81 HPGD (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrogen Peroxide SCHEMBL27597692 0.81 SOAT1 (0.49) MAPTALDH1A1KMT2AMEN1HTT
Hydrogen Peroxide SCHEMBL29233362 0.81 SOAT1 (0.49) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL20063083 0.81 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL799102 0.80 NR4A2 (0.52) GABRA1GABRB2LMNAALDH1A1TSHR
SCHEMBL28946611 0.77 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL28946612 0.77 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL270136 0.77 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL19283539 0.77 P2RX4 (0.42) HDAC8HDAC1LMNAL3MBTL1MAPT

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-0933343-B1 Method for producing sized, coated ceramic fibers COI CERAMICS INC (US) 2003-06-25 EP claimed