SCHEMBL22072011

SCHEMBL22072011

CCOC(=O)/C=C/C(=O)OCCCCOC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
HCAR2 Q8TDS4 5/20 0.56
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
APP P05067 1/20 0.39
LMNA P02545 1/20 0.38
MDM2 Q00987 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
SCHEMBL5831233 0.92 ATM (0.64) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL28423431 0.90 ATM (0.61) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL1527050 0.87 ATM (0.64) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL27619590 0.86 ATM (0.76) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL8419741 0.84 ATM (0.61) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL11750449 0.84 HCAR2 (0.76) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL8417409 0.84 HCAR2 (0.76) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL9150197 0.84 HCAR2 (0.76) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL15921262 0.84 HCAR2 (0.76) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL5831231 0.84 HCAR2 (0.72) ATMHCAR2MAPTNPSR1RAB9A

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
WO-2020118178-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-06-11 WO disclosed