SCHEMBL7763579

SCHEMBL7763579

CCOC(=O)Cc1cc(CO)ccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
HTT P42858 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TBXAS1 P24557 1/20 0.40
LMNA P02545 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL7768406 0.85 CYP4F2 (0.53) RECQLCYP4F2CYP4A11MAPK1ALDH1A1
SCHEMBL3548646 0.84 TDP1 (0.44) CDC7DBF4RECQLMEN1KMT2A
SCHEMBL13653554 0.83 CDC7 (0.49) CDC7DBF4MEN1KMT2ASMN1; SMN2
SCHEMBL7768376 0.82 KDM4E (0.40) CDC7DBF4MEN1KMT2AHTT
SCHEMBL19915712 0.81 MAPT (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31604246 0.81 SMN1; SMN2 (0.47) CDC7DBF4MEN1KMT2AHTT
SCHEMBL9952026 0.81 MEN1 (0.44) CDC7DBF4MEN1KMT2AMAPK1
SCHEMBL15709664 0.81 NOS1 (0.44) CDC7DBF4MEN1KMT2AHTT
SCHEMBL30163570 0.81 MEN1 (0.44) CDC7DBF4MEN1KMT2AMAPK1
SCHEMBL27037928 0.80 NOS3 (0.50) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1

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