SCHEMBL27936634

SCHEMBL27936634

CC(C(=O)O)N(C)C.CN(C)C(CCCN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.39
CPB2 Q96IY4 6/20 0.39
GSR P00390 1/20 0.37
RNPEP Q9H4A4 1/20 0.36
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA4 P43681 1/20 0.31
GABRR3 A8MPY1 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
HDAC3 O15379 1/20 0.30
GABBR2 O75899 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30

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
SCHEMBL527672 0.91 CPB2 (0.45) GABRR1CPB2GSRRNPEPGABRR3
SCHEMBL25238647 0.91 CPB2 (0.45) GABRR1CPB2GSRRNPEPGABRR3
SCHEMBL7323886 0.91 CPB2 (0.45) GABRR1CPB2GSRRNPEPGABRR3
Ammonia Solution, Strong SCHEMBL27491588 0.89 CPB2 (0.44) GABRR1CPB2GSRRNPEPGABRR3
Myristic Acid SCHEMBL27918042 0.86 GPR84 (0.45) LMNATHRBTSHRKMT2AHDAC11
SCHEMBL181034 0.85 GSR (0.52) GABRR1CPB2GSRRNPEPLMNA
SCHEMBL4735950 0.85 GSR (0.52) GABRR1CPB2GSRRNPEPLMNA
SCHEMBL181035 0.85 GSR (0.52) GABRR1CPB2GSRRNPEPLMNA
Hydrochloric Acid SCHEMBL920512 0.83 GSR (0.50) GABRR1CPB2GSRRNPEPLMNA
Hydrochloric Acid SCHEMBL28300269 0.83 GSR (0.50) GABRR1CPB2GSRRNPEPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104136498-A Novel liquid organopolysiloxanes and use thereof DOW CORNING TORAY CO LTD 2014-11-05 CN disclosed
CN-104011139-A USE OF ACID IN THE MANUFACTURE OF ORGANOPOLYSILOXANE DOW CORNING TORAY CO LTD 2014-08-27 CN disclosed
CN-103298857-A Cosmetic containing liquid organopolysiloxane DOW CORNING TORAY CO LTD 2013-09-11 CN disclosed