SCHEMBL11323972

SCHEMBL11323972

CC[C](O)CC(=O)COC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
FFAR3 O14843 1/20 0.36
TSHR P16473 3/20 0.33
HPGD P15428 2/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 3/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL16425793 0.81 TSHR (0.40) TSHRHPGDCYP2C19MAPTALOX12
SCHEMBL1009447 0.79
SCHEMBL267249 0.78
SCHEMBL11321316 0.77
SCHEMBL20577397 0.76
SCHEMBL5070460 0.75
SCHEMBL31278397 0.75 HAO1 (0.43) TSHRHPGDCYP2C19MAPTALOX12
SCHEMBL626926 0.74
SCHEMBL126506 0.74 MGAM (0.50) TSHRHPGDMAPTHTTNPSR1
SCHEMBL651636 0.74

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-4252530-A USING A BASE AS DISCHARGE AGENT IN A DISCHARGE RESIST PASTE AND HEATING CASSELLA AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed