SCHEMBL8992513

SCHEMBL8992513

CCCCOC(=O)C=O.[AlH3]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.68
TSHR P16473 5/20 0.63
HPGD P15428 1/20 0.63
HCAR2 Q8TDS4 4/20 0.59
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NAAA Q02083 1/20 0.43
APP P05067 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL195396 0.98
Water SCHEMBL7567022 0.95 ATM (0.68) ATMTSHRHPGDHCAR2ALDH1A1
Methyl Alcohol SCHEMBL5605876 0.95 ATM (0.68) ATMTSHRHPGDHCAR2ALDH1A1
Alcohol SCHEMBL27686238 0.93 ATM (0.65) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL525121 0.91 HCAR2 (0.62) ATMTSHRHPGDHCAR2ALDH1A1
Butyl Alcohol SCHEMBL27705263 0.90 ATM (0.61) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL6676413 0.89 HCAR2 (0.63) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL4783244 0.89 HCAR2 (0.63) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL6675004 0.89 HCAR2 (0.63) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL6679192 0.89 HCAR2 (0.63) ATMTSHRHPGDHCAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572472-B1 COATING POWDERS ALCAN INT LTD (CA) 1996-07-31 EP disclosed
EP-0572472-A1 COATING POWDERS. ALCAN INT LTD (CA) 1993-12-08 EP disclosed
WO-1992014792-A1 COATING POWDERS ALCAN INTERNATIONAL LIMITED (CA) 1992-09-03 WO disclosed