SCHEMBL7965188

SCHEMBL7965188

O=C(O)CCC1COc2ccccc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 1.00
ALDH1A1 P00352 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
POLB P06746 3/20 0.67
HPGD P15428 4/20 0.65
GAA P10253 2/20 0.59
MAPT P10636 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MTNR1A P48039 1/20 0.56
ALOX5 P09917 1/20 0.55
HBB P68871 1/20 0.54
CA2 P00918 1/20 0.54
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL1567222 0.87 HTT (0.77) HTTALDH1A1SMN1; SMN2POLBHPGD
Hydrochloric Acid SCHEMBL11028252 0.84 HTT (0.73) HTTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL4553361 0.83 HTT (0.71) HTTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL10956812 0.80 HTT (0.66) HTTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL1545537 0.80 HTT (0.66) HTTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL1568393 0.80 HTT (0.66) HTTALDH1A1SMN1; SMN2POLBHPGD
Hydrochloric Acid SCHEMBL9118438 0.78 HTT (0.63) HTTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL4522017 0.77 HTT (0.63) HTTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL1568297 0.77 HTT (0.62) HTTALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL22393113 0.76 HPGD (0.76) HTTALDH1A1SMN1; SMN2HPGDGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313294-B1 Process for preparing amides DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2001-11-06 US disclosed
US-4301171-A 2-(1,4-Benzodioxan-2-ylalkyl)benzimidazoles useful as anti-depressants SYNTEX (U.S.A.) INC. (US) 1981-11-17 US disclosed