SCHEMBL7003732

SCHEMBL7003732

NCCc1ccc(CC(=O)O)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.59
GABRD O14764 2/20 0.59
GABRA1 P14867 2/20 0.59
GABRB1 P18505 2/20 0.59
GABRG2 P18507 2/20 0.59
GABRB3 P28472 2/20 0.59
GABRA5 P31644 2/20 0.59
GABRA3 P34903 2/20 0.59
GABRA2 P47869 2/20 0.59
GABRB2 P47870 2/20 0.59
GABRA4 P48169 2/20 0.59
GABRE P78334 2/20 0.59
GABRA6 Q16445 2/20 0.59
GABRG1 Q8N1C3 2/20 0.59
GABRG3 Q99928 2/20 0.59
GABRQ Q9UN88 2/20 0.59
P4HTM Q9NXG6 2/20 0.54
NAPRT Q6XQN6 1/20 0.43
CA2 P00918 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41

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
SCHEMBL29108372 0.80 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6562985 0.79 HRH1 (0.48) ALDH1A1HSD17B10HRH1PTGS1KDM4E
SCHEMBL14671128 0.79 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27544709 0.79 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12303329 0.79 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6705826 0.78 HRH1 (0.44) ALDH1A1HSD17B10GAALMNATSHR
SCHEMBL18571042 0.76 FFAR1 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4842994 0.75 ALDH1A1 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28664825 0.75 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6935249 0.75 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319061-A1 LAUNDRY BLEACHING KIT AND METHOD OF BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2003-06-18 EP disclosed
EP-1283861-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2003-02-19 EP disclosed
EP-1268731-A1 BLEACHING AND DYE TRANSFER INHIBITING COMPOSITION AND METHOD FOR STAIN BLEACHING OF LAUNDRY FABRICS UNILEVER PLC (GB) 2003-01-02 EP disclosed
EP-1259671-A1 METHOD FOR REDUCING DYE FADING OF FABRICS IN LAUNDRY BLEACHING COMPOSITIONS UNILEVER PLC (GB) 2002-11-27 EP disclosed
WO-2002024852-A1 LAUNDRY BLEACHING KIT AND METHOD OF BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-03-28 WO disclosed
US-20020010121-A1 Bleaching and dye transfer inhibiting composition and method for laundry fabrics UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-24 US disclosed
WO-2001064827-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-09-07 WO disclosed
WO-2001064828-A1 LAUNDRY BLEACHING AND DYE TRANSFER INHIBITING COMPOSITION UNILEVER PLC (GB) 2001-09-07 WO disclosed
WO-2001064994-A1 METHOD FOR REDUCING DYE FADING OF FABRICS IN LAUNDRY BLEACHING COMPOSITIONS UNILEVER PLC (GB) 2001-09-07 WO disclosed
WO-2001064824-A1 BLEACHING AND DYE TRANSFER INHIBITING COMPOSITION AND METHOD FOR STAIN BLEACHING OF LAUNDRY FABRICS UNILEVER PLC (GB) 2001-09-07 WO disclosed
WO-2001064825-A1 BLEACHING COMPOSITION AND METHOD FOR BLEACHING LAUNDRY FABRICS UNILEVER PLC (GB) 2001-09-07 WO disclosed