SCHEMBL6591545

SCHEMBL6591545

Nc1c[nH]c(CC(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.41
GABRB2 P47870 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GABRA1 P14867 3/20 0.41
GABRA4 P48169 3/20 0.41
GABRR1 P24046 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
GABRR2 P28476 1/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
PMP22 Q01453 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA3 P34903 2/20 0.39

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
SCHEMBL2135701 0.78 ALDH1A1 (0.42) GABRA5GABRB2ALDH1A1GABRA1GABRA4
SCHEMBL30231068 0.76 GABRR1 (0.43) GABRA5GABRB2ALDH1A1GABRA1GABRA4
SCHEMBL1332915 0.76 GABRR1 (0.43) GABRA5GABRB2ALDH1A1GABRA1GABRA4
SCHEMBL27915573 0.72 ALDH1A1 (0.38) GABRA5GABRB2ALDH1A1GABRA1GABRA4
SCHEMBL30433878 0.72 ALDH1A1 (0.38) GABRA5GABRB2ALDH1A1GABRA1GABRA4
SCHEMBL19279017 0.71 ALDH1A1 (0.37) GABRA5GABRB2ALDH1A1GABRA1GABRA4
SCHEMBL1199229 0.70
SCHEMBL28045511 0.69 ALDH1A1 (0.46) GABRA5GABRB2ALDH1A1GABRA1GABRA4
SCHEMBL1577010 0.69 TSHR (0.33) GABRA5GABRB2GABRA1GABRA4TSHR
SCHEMBL27396523 0.68 KDM5A (0.35) GABRA5GABRB2ALDH1A1GABRA1GABRA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104788596-B A kind of preparation method for being used to remove the resin material of nickel ion in water 广德宏霞科技发展有限公司 2017-11-03 CN claimed
CN-104788596-A Resin material for removing nickel ions in water and preparation and application methods of resin material GUANGDE HONGXIA TECHNOLOGY DEV CO LTD 2015-07-22 CN claimed
CN-104788596-B A kind of preparation method for being used to remove the resin material of nickel ion in water 广德宏霞科技发展有限公司 2017-11-03 CN disclosed
CN-104788596-A Resin material for removing nickel ions in water and preparation and application methods of resin material GUANGDE HONGXIA TECHNOLOGY DEV CO LTD 2015-07-22 CN disclosed
CN-104788596-A Resin material for removing nickel ions in water and preparation and application methods of resin material GUANGDE HONGXIA TECHNOLOGY DEV CO LTD 2015-07-22 CN disclosed
EP-1467732-A1 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES Pfizer Limited (GB) 2004-10-20 EP disclosed
WO-2003061653-A9 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LTD (GB) 2003-12-24 WO disclosed
WO-2003061653-A1 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LIMITED (GB) 2003-07-31 WO disclosed