SCHEMBL17655693

SCHEMBL17655693

CC(C)(C)OC(=O)NOCC(=O)NCCOCCOCCNC(=O)CON

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
ADORA1 P30542 4/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GAA P10253 1/20 0.33
BCHE P06276 1/20 0.32
CNR2 P34972 1/20 0.32
ADRB2 P07550 2/20 0.32
HTR1A P08908 2/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL12143361 0.94 APLNR (0.42) APLNRTDP1ADORA1CA12CA1
SCHEMBL23818338 0.92 TDP1 (0.43) APLNRTDP1ADORA1CA12CA1
SCHEMBL14679532 0.89 APLNR (0.38) APLNRTDP1ADORA1CA12CA1
SCHEMBL12028861 0.88 APLNR (0.38) APLNRTDP1ADORA1CA12CA1
SCHEMBL15765901 0.88 APLNR (0.38) APLNRTDP1ADORA1CA12CA1
SCHEMBL2743022 0.87 TDP1 (0.42) APLNRTDP1ADORA1CA12CA1
SCHEMBL13014750 0.86 APLNR (0.37) APLNRTDP1ADORA1CA12CA1
SCHEMBL2743023 0.86 APLNR (0.37) APLNRTDP1ADORA1CA12CA1
SCHEMBL15757814 0.86 ADORA1 (0.38) APLNRTDP1ADORA1CA12CA1
SCHEMBL22339730 0.85 ADORA1 (0.37) APLNRTDP1ADORA1CA12CA1

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
EP-1828224-B1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX INC (US) 2016-04-06 EP disclosed