SCHEMBL9842944

SCHEMBL9842944

CCCC(=O)Nc1ccc(OCC)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.77
HTT P42858 1/20 0.74
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
TSHR P16473 2/20 0.67
LMNA P02545 2/20 0.67
CYP1A2 P05177 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
TP53 P04637 1/20 0.66
MAPT P10636 4/20 0.65
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MAPK1 P28482 1/20 0.65
KDM4E B2RXH2 1/20 0.65
NPC1 O15118 1/20 0.63
HPGD P15428 1/20 0.63
RAB9A P51151 1/20 0.63
GAA P10253 1/20 0.60
THRB P10828 1/20 0.60
PPARG P37231 1/20 0.59

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
SCHEMBL8986265 0.90 POLB (0.73) POLBHTTMEN1KMT2ATSHR
SCHEMBL9390735 0.88 L3MBTL1 (0.74) POLBHTTMEN1KMT2ACYP1A2
SCHEMBL9312707 0.87 POLB (1.00) POLBHTTMEN1KMT2ATSHR
SCHEMBL11642285 0.87 POLB (0.69) POLBHTTMEN1KMT2ATSHR
SCHEMBL10652806 0.87 POLB (0.69) POLBHTTMEN1KMT2ATSHR
SCHEMBL8443095 0.87 POLB (0.69) POLBHTTMEN1KMT2ATSHR
SCHEMBL11247219 0.87 POLB (0.73) POLBHTTMEN1KMT2ATSHR
SCHEMBL7824567 0.87 HTT (0.75) POLBHTTMEN1KMT2ATSHR
SCHEMBL12445438 0.86 POLB (0.83) POLBHTTMEN1KMT2ATSHR
SCHEMBL13745573 0.85 HTT (1.00) POLBHTTMEN1KMT2ATSHR

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-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP disclosed