SCHEMBL586941

SCHEMBL586941

COC(=O)C1CCN(C(=O)OC)C(c2cccc(C(F)(F)F)c2)C1.COC(=O)N1CCC(C(=O)O)CC1c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
IDH2 P48735 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GUSB P08236 1/20 0.39
SLC6A9 P48067 2/20 0.39
LMNA P02545 3/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
USP5 P45974 1/20 0.37

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
SCHEMBL586920 0.96 MAPT (0.42) NOTUMTDP1MAPTUBE2MDCUN1D1
SCHEMBL580827 0.96 NOTUM (0.48) NOTUMIDH2TDP1UBE2MDCUN1D1
SCHEMBL586674 0.88 NOTUM (0.44) NOTUMTDP1MAPTKDM4ESLC6A9
SCHEMBL587031 0.86 RIPK1 (0.36) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL581709 0.86 RIPK1 (0.39) NOTUMKMT2AALDH1A1MEN1
SCHEMBL587057 0.86 TACR1 (0.40) NOTUMIDH2TDP1MAPT
SCHEMBL581795 0.85 ALDH1A1 (0.47) NOTUMIDH2LMNAKMT2AALDH1A1
SCHEMBL581796 0.85 ALDH1A1 (0.47) NOTUMIDH2LMNAKMT2AALDH1A1
SCHEMBL581556 0.84 NOTUM (0.53) NOTUMIDH2KDM4ESLC6A9KMT2A
SCHEMBL582132 0.83 NOTUM (0.47) NOTUMTDP1KDM4ESLC6A9EPHX2

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
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed