SCHEMBL7768336

SCHEMBL7768336

O=C(O)CCc1cc(CO)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
FFAR1 O14842 10/20 0.44
KEAP1 Q14145 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
P4HTM Q9NXG6 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
SCHEMBL31422477 0.83 FFAR1 (0.40) FFAR1KEAP1GABRPGABRDGABRA1
SCHEMBL4855353 0.79 GPR17 (0.43) FFAR1KEAP1P4HTMTBXAS1
SCHEMBL12815057 0.79 KDM4E (0.50) FFAR1KEAP1
SCHEMBL19013912 0.79 HPGD (0.45) FFAR1KEAP1GABRPGABRDGABRA1
SCHEMBL30405680 0.79 NR4A2 (0.49) FFAR1PLAU
SCHEMBL29009956 0.79 FFAR1 (0.46) FFAR1KEAP1
SCHEMBL2964327 0.79 FFAR1 (0.46) FFAR1TBXAS1
SCHEMBL7768406 0.78 CYP4F2 (0.53) RECQL
SCHEMBL13541414 0.76 RECQL (0.61) RECQLGABRPGABRDGABRA1GABRB1
SCHEMBL18534149 0.76 PLA2G10 (0.38) FFAR1KEAP1P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846687-B1 Pyrazoles as human non-pancreatic secretory phospholipase A2 inhibitors LILLY CO ELI (US) 2001-08-08 EP disclosed
US-5972972-A FOR TREATMENT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA-INDUCED SHOCK, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1999-10-26 US disclosed
WO-1998024437-A1 PYRAZOLES AS HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed
EP-0846687-A1 Pyrazoles as human non-pancreatic secretory phospholipase A2 inhibitors ELI LILLY AND COMPANY (US) 1998-06-10 EP disclosed