SCHEMBL28385993

SCHEMBL28385993

CC(C)(C)c1cccc(N2C(=O)C=CC2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.64
FAAH O00519 5/20 0.64
HSP90AA1 P07900 4/20 0.59
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
HPN P05981 1/20 0.49
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NOTUM Q6P988 1/20 0.44
CCR6 P51684 1/20 0.42
AR P10275 1/20 0.42
CTSK P43235 1/20 0.41

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
SCHEMBL1156245 0.86 MGLL (0.60) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL3180022 0.81 MGLL (0.64) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL8889272 0.80 MGLL (0.53) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL11101810 0.80 MGLL (0.53) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL94730 0.80 MGLL (1.00) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL1838889 0.80 MGLL (1.00) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL28029842 0.79 MGLL (0.51) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL8930752 0.79 MGLL (0.60) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL17862118 0.79 MEN1 (0.53) ALDH1A1HTT
SCHEMBL30958998 0.78 MGLL (0.95) MGLLFAAHHSP90AA1ALDH1A1PKM

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
CN-111094380-A Process for producing thermoplastic polyoxazolidone polymers 科思创德国股份有限公司 2020-05-01 CN disclosed