SCHEMBL7964334

SCHEMBL7964334

CCOC(=O)Cc1c(C)[nH]c2ccc(C(=O)OCC)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.69
KDM4E B2RXH2 7/20 0.62
ALDH1A1 P00352 7/20 0.62
MAPT P10636 5/20 0.62
HSD17B10 Q99714 5/20 0.62
HPGD P15428 4/20 0.62
LMNA P02545 1/20 0.62
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPK1 P28482 3/20 0.59
POLB P06746 2/20 0.59
GAA P10253 4/20 0.56
NPC1 O15118 1/20 0.54
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52

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
SCHEMBL25811504 0.88 HCRTR1 (0.74) HCRTR1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL8291738 0.85 KDM4E (0.69) HCRTR1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6222629 0.84 GAA (0.63) HCRTR1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL10277244 0.83 KDM4E (0.51) HCRTR1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL8296306 0.83 PRSS1 (0.55) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL1191675 0.83 KDM4E (0.51) HCRTR1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL5190391 0.83 JAK2 (0.55) HCRTR1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL11328478 0.82 MEN1 (0.48) HCRTR1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL30402755 0.82 HCRTR1 (1.00) HCRTR1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL2161594 0.82 HCRTR1 (1.00) HCRTR1KDM4EALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0620215-B1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors LILLY CO ELI (US) 1999-08-18 EP disclosed
EP-0620214-B1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors LILLY CO ELI (US) 1999-03-03 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed