SCHEMBL27595451

SCHEMBL27595451

CC(C)(C)C1(c2ccccc2)CN(c2nc(C(=O)N3CC(NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)co2)C1(O[SiH3])c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.33
CCR5 P51681 1/20 0.33
PLCG1 P19174 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
ENPP2 Q13822 1/20 0.32
ATXN2 Q99700 1/20 0.32
CTSL P07711 3/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
P2RX7 Q99572 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL28746095 0.87 PLCG1 (0.34) TDP1ATMCCR5PLCG1DPP8
SCHEMBL27595453 0.81 AR (0.31)
SCHEMBL27577435 0.77 DPP8 (0.40) TDP1ATMDPP8DPP9ALDH1A1
SCHEMBL5724326 0.75 DPP8 (0.37) TDP1ATMDPP8DPP9ALDH1A1
SCHEMBL27595560 0.75 DPP8 (0.37) TDP1ATMDPP8DPP9ALDH1A1
SCHEMBL28743491 0.74 DNM1L (0.34) TDP1PLCG1DPP8DPP9ALDH1A1
SCHEMBL5724452 0.67 ALDH1A1 (0.50) TDP1ATMDPP8DPP9ALDH1A1
SCHEMBL5723792 0.67 DPP8 (0.36) TDP1ATMPLCG1DPP8DPP9
SCHEMBL5723802 0.67 PLCG1 (0.36) TDP1ATMPLCG1DPP8DPP9
SCHEMBL5724199 0.65 DPP8 (0.42) TDP1ATMPLCG1DPP8DPP9

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-1486317-A 1-methylcarbapenem derivatives ������������ʽ���� 2004-03-31 CN disclosed