SCHEMBL8670733

SCHEMBL8670733

CN(N)C(CCC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46

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
SCHEMBL8583489 0.82 CYP1A2 (0.50) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL198528 0.82 CYP1A2 (0.50) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL8583491 0.82 CYP1A2 (0.50) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL198527 0.82 CYP1A2 (0.50) CYP1A2GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL2257624 0.80 CYP1A2 (0.48) CYP1A2GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL1934550 0.80 CYP1A2 (0.48) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL2984816 0.80 CYP1A2 (0.48) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL2984814 0.80 CYP1A2 (0.48) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL4779396 0.79 CYP1A2 (0.43) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL16666108 0.79 CYP1A2 (0.43) CYP1A2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024198046-A1 BIOMARKER AND SYSTEM FOR PREDICTING EVOLUTION INTO ACLF OR DEATH OF ACLF PATIENT, AND USES THEREOF 上海甘宁医疗科技有限公司 2024-10-03 WO claimed
EP-0525836-B1 Assay method using novel NAD synthetase ASAHI CHEMICAL IND (JP) 1998-12-09 EP claimed
US-5206146-A Incubating specimen with NAD synthetase to generate NAD, performing coenzyme cycling reaction, measuring consumed or generated component ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-04-27 US claimed
EP-0525836-A2 Assay method using novel NAD synthetase ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-02-03 EP claimed
EP-0260137-A2 Assay method using novel NAD synthetase and a process for production of the enzyme ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-03-16 EP claimed
CN-119510604-A Biomarker for predicting whether ACLF patient will die, system and application thereof 上海甘宁医疗科技有限公司 2025-02-25 CN disclosed
CN-119470683-A Biomarker for predicting whether ACLF will be formed, system and application thereof 上海甘宁医疗科技有限公司 2025-02-18 CN disclosed
WO-2024198046-A1 BIOMARKER AND SYSTEM FOR PREDICTING EVOLUTION INTO ACLF OR DEATH OF ACLF PATIENT, AND USES THEREOF 上海甘宁医疗科技有限公司 2024-10-03 WO disclosed
CN-117191963-B Biomarkers, systems, and uses thereof for predicting whether progression to ACLF or mortality in ACLF patients will occur 上海甘宁医疗科技有限公司 2024-09-27 CN disclosed
CN-117191963-A Biomarkers, systems, and uses thereof for predicting whether progression to ACLF or mortality in ACLF patients will occur 上海甘宁医疗科技有限公司 2023-12-08 CN disclosed
CN-116507349-A Probiotic bacillus compositions and methods of use 生物编辑有限责任公司 2023-07-28 CN disclosed
US-5206146-A Incubating specimen with NAD synthetase to generate NAD, performing coenzyme cycling reaction, measuring consumed or generated component ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-04-27 US disclosed
US-4767712-A CULTURE PRODUCT OF BACILLUS TOYO JOZO KABUSHIKI KAISHA (JP) 1988-08-30 US disclosed