SCHEMBL28798282

SCHEMBL28798282

CC(C)C(=O)OC(=O)[C@@H](N)CCO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
SLC7A5 Q01650 1/20 0.31
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 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
SCHEMBL14485820 0.84 SLC7A5 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1396066 0.81 ALDH1A1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL60923 0.81 TSHR (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6930076 0.81 TSHR (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14485531 0.80 DPP4 (0.37)
Hydrochloric Acid SCHEMBL31223210 0.79 TSHR (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3498360 0.79 NAAA (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31283466 0.79 GSR (0.52)
SCHEMBL6019778 0.79 RNPEP (0.37)
SCHEMBL5874859 0.78

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
CN-102762735-A Microorganisms producing 1, 4-butanediol, 4-hydroxybutyraldehyde, 4-hydroxybutyryl-COA, putrescine and related compounds and related methods GENOMATICA INC 2012-10-31 CN disclosed
CN-102498215-A Microorganisms for producing 1, 4-butanediol and related methods GENOMATICA INC 2012-06-13 CN disclosed