SCHEMBL17635142

SCHEMBL17635142

CCCCOC(=O)[C@@H](C)COC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ATM Q13315 1/20 0.47
TSHR P16473 4/20 0.44
HPGD P15428 2/20 0.44
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
EPHX1 P07099 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 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
SCHEMBL10405114 0.87 HSD17B10 (0.38) ALDH1A1TSHRHPGDHCAR2TDP1
SCHEMBL445182 0.86 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL28479089 0.86 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL446187 0.84 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL26224759 0.83 NAAA (0.43) TSHRHCAR2NAAAMAPTCA1
SCHEMBL1557964 0.83 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL310458 0.83 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL16826935 0.83 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8954874 0.83 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL13541256 0.83 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2

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
US-9295708-B2 Modified release formulations for oprozomib ONYX THERAPEUTICS, INC. (US) 2016-03-29 US disclosed