SCHEMBL7768406

SCHEMBL7768406

CCOC(=O)CCc1cc(CO)ccn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.53
▸ CYP4A11 Q02928 3/20 0.53
▸ SYK P43405 5/20 0.42
▸ LMNA P02545 2/20 0.41
▸ RECQL P46063 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP4Z1 Q86W10 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL16318580 0.88 CYP4F2 (0.56) CYP4F2CYP4A11SYKLMNAMAPT
Hydrochloric Acid SCHEMBL7766639 0.86 CYP4F2 (0.47) CYP4F2CYP4A11SYKLMNAMAPT
SCHEMBL7763579 0.85 CDC7 (0.42) CYP4F2CYP4A11LMNARECQLMAPK1
SCHEMBL27224530 0.84 CYP4F2 (0.54) CYP4F2CYP4A11SYKLMNAMAPT
SCHEMBL7771281 0.83 CYP4F2 (0.44) CYP4F2CYP4A11SYKLMNAMAPT
SCHEMBL4082835 0.82 CYP4F2 (0.45) CYP4F2CYP4A11SYKLMNAMAPT
SCHEMBL22166068 0.82 TNF (0.46) CYP4F2CYP4A11SYKLMNAMAPT
SCHEMBL16737338 0.82 CYP4F2 (0.45) CYP4F2CYP4A11SYKLMNAMAPT
SCHEMBL10743352 0.81 NOS1 (0.48) CYP4F2CYP4A11SYKLMNAALDH1A1
SCHEMBL1410678 0.79 CYP4F2 (0.56) CYP4F2CYP4A11SYKLMNAMAPT

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
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