SCHEMBL28050440

SCHEMBL28050440

CC(C)CC(CO)N(C)C(=O)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.52
ACHE P22303 6/20 0.43
BCHE P06276 5/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.41
PKM P14618 1/20 0.41
ANPEP P15144 1/20 0.38
LAP3 P28838 1/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 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
SCHEMBL28050443 1.00 NPY5R (0.52) NPY5RACHEBCHEATMTDP1
SCHEMBL28825806 0.87 NPY5R (0.48) NPY5RACHEBCHEATMTDP1
SCHEMBL21802391 0.81 NPY5R (0.50) NPY5RACHEBCHEATMTDP1
SCHEMBL9623297 0.80 NPY5R (0.51) NPY5RACHEBCHEATMTDP1
SCHEMBL3475218 0.77 NPY5R (0.59) NPY5RACHEBCHEATMTDP1
SCHEMBL28050399 0.77 NPY5R (0.52) NPY5RACHEBCHEATMTDP1
SCHEMBL4924150 0.76 NPY5R (0.51) NPY5RACHEBCHEATMTDP1
SCHEMBL5370760 0.75 NPY5R (0.57) NPY5RACHEBCHEATMTDP1
SCHEMBL28217066 0.75 NPY5R (0.47) NPY5RACHEBCHEATMTDP1
SCHEMBL28050405 0.75 NPY5R (0.53) NPY5RACHEBCHEATMTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108283644-A To the instantaneous protection of normal cell during chemotherapy G1治疗公司 2018-07-17 CN disclosed
CN-105473140-A Transient protection of normal cells during chemotherapy G1 THERAPEUTICS INC 2016-04-06 CN disclosed
CN-105407889-A HSPC-sparing therapy for Rb-positive abnormal cell proliferation G1 THERAPEUTICS INC 2016-03-16 CN disclosed
CN-105407723-A Highly effective anti-neoplastic and anti-proliferative agents G1 THERAPEUTICS INC 2016-03-16 CN disclosed