SCHEMBL6949283

SCHEMBL6949283

Nn1cnc(CC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.39
GABRB2 P47870 3/20 0.39
HSD17B10 Q99714 2/20 0.39
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
GABRA3 P34903 2/20 0.35
GABRA2 P47869 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
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2505046 0.81 FFAR1 (0.37) TDP1L3MBTL1CYP2C19P4HTM
SCHEMBL876467 0.76 CYP2C9 (0.50) GABRA5GABRB2HSD17B10KDM4EALDH1A1
SCHEMBL46947 0.76 GABRA5 (0.35) GABRA5GABRB2HSD17B10GABRPGABRD
SCHEMBL27340963 0.76 CYP2C9 (0.50) GABRA5GABRB2HSD17B10KDM4EALDH1A1
SCHEMBL6949279 0.76 GABRA5 (0.35) GABRA5GABRB2HSD17B10GABRPGABRD
Hydrochloric Acid SCHEMBL1373085 0.74 TDP1 (0.52) GABRA5GABRB2HSD17B10KDM4EALDH1A1
SCHEMBL44187 0.74 CYP1A2 (0.45) HSD17B10KDM4EALDH1A1POLBTDP1
SCHEMBL1441194 0.73 CPB2 (0.50) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL27803103 0.72 ALDH1A1 (0.36) GABRA5GABRB2HSD17B10KDM4EALDH1A1
SCHEMBL27803087 0.71 CPB2 (0.53) KDM4EALDH1A1POLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019047-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-11-05 EP claimed
US-6541499-B1 Antithrombotic agents ELI LILLY AND COMPANY 2003-04-01 US claimed
US-6271227-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-08-07 US claimed
EP-0980366-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-17 EP claimed
EP-0980366-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP claimed
WO-1998049160-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO claimed
EP-1019047-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-11-05 EP disclosed
US-6541499-B1 Antithrombotic agents ELI LILLY AND COMPANY 2003-04-01 US disclosed
US-6271227-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-08-07 US disclosed
EP-0980366-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-17 EP disclosed
EP-0980366-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049160-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed