SCHEMBL28615705

SCHEMBL28615705

CCOC(COCCN)OCCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.33
GABRP O00591 3/20 0.32
GABRD O14764 3/20 0.32
GABRA1 P14867 3/20 0.32
GABRB1 P18505 3/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRA3 P34903 3/20 0.32
GABRA2 P47869 3/20 0.32
GABRB2 P47870 3/20 0.32
GABRA4 P48169 3/20 0.32
GABRE P78334 3/20 0.32
GABRA6 Q16445 3/20 0.32
GABRG1 Q8N1C3 3/20 0.32
GABRG3 Q99928 3/20 0.32
GABRQ Q9UN88 3/20 0.32
PLA2G2C Q5R387 1/20 0.32
CYP1A2 P05177 2/20 0.31
GABRR3 A8MPY1 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
SCHEMBL28615703 0.94 TLR2 (0.33) TLR2GABRPGABRDGABRA1GABRB1
SCHEMBL4738392 0.86 PLA2G2C (0.36) TLR2GABRPGABRDGABRA1GABRB1
SCHEMBL28968784 0.85 TLR2 (0.31) TLR2CYP1A2LMNAKMT2A
SCHEMBL28933423 0.82 CYP3A4 (0.32) THRB
SCHEMBL3208469 0.82 CYP3A4 (0.34) CYP1A2LMNATHRBKMT2A
SCHEMBL28968781 0.82 TLR2 (0.31) TLR2CYP1A2LMNAKMT2A
SCHEMBL28553600 0.80 ALDH1A1 (0.37)
SCHEMBL12997234 0.79 CYP3A4 (0.32) THRB
SCHEMBL12997235 0.79 CYP3A4 (0.32) THRB
SCHEMBL1984877 0.76 CYP3A4 (0.40) TLR2PLA2G2C

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-113056287-A Conjugated chemical degradation inducers and methods of use 豪夫迈·罗氏有限公司 2021-06-29 CN disclosed