SCHEMBL6428485

SCHEMBL6428485

CC1CN1C(CCO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MME P08473 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPM1B O75688 1/20 0.32
SLC6A9 P48067 2/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 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
SCHEMBL9148965 0.86 CYP1A2 (0.48) CYP1A2CYP2C19PPM1BGABRPGABRD
SCHEMBL300020 0.85 MME (0.40) CYP1A2SMN1; SMN2MMECYP2C19SLC6A9
SCHEMBL13278829 0.78 SMN1; SMN2 (0.43) CYP1A2SMN1; SMN2MMESLC6A9
SCHEMBL2354433 0.71 LMNA (0.37) CYP1A2CYP2C19
SCHEMBL8695133 0.71 KMT2A (0.57) CYP1A2SMN1; SMN2CYP2C19
1,6-Hexanediol SCHEMBL2214301 0.71 SLC6A9 (0.40) CYP1A2SMN1; SMN2SLC6A9
SCHEMBL3940485 0.69
SCHEMBL8781849 0.68 CHRM1 (0.35) SMN1; SMN2SLC6A9
SCHEMBL23130609 0.67 SLC6A9 (0.33) SLC6A9
SCHEMBL23130606 0.67 SLC6A9 (0.33) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150208892-A1 DUSTER SYSTEM FOR DAMP AND DRY DUSTING PROCTER & GAMBLE (US) 2015-07-30 US disclosed
US-20050121054-A1 Substrate impregnated with aqueous solution containing surfactant THE PROCTER & GAMBLE COMPANY (US) 2005-06-09 US disclosed