SCHEMBL7952956

SCHEMBL7952956

CCOC(=O)Cc1c(CC)[nH]c2ccc(OC)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.57
HTR1A P08908 1/20 0.57
HTR1D P28221 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR1E P28566 1/20 0.57
HTR7 P34969 1/20 0.57
HTR5A P47898 1/20 0.57
AKR1C2 P52895 1/20 0.56
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 7/20 0.55
HPGD P15428 5/20 0.55
MAPT P10636 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
GABRA1 P14867 2/20 0.54
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
GABRA5 P31644 2/20 0.54
GABRA3 P34903 2/20 0.54

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
SCHEMBL7964163 0.90 HTR6 (0.60) HTR6HTR1AHTR1DHTR2AHTR2C
SCHEMBL11625297 0.88 AKR1C2 (0.52) HTR6HTR1AHTR1DHTR2AHTR2C
SCHEMBL11082447 0.88 HTR6 (0.57) HTR6HTR1AHTR1DHTR2AHTR2C
SCHEMBL5605077 0.87 AKR1C2 (0.74) HTR6HTR1AHTR1DHTR1EHTR7
SCHEMBL28819202 0.85 ALDH1A1 (0.64) AKR1C2KDM4EALDH1A1HPGDMAPT
SCHEMBL3958468 0.84 ALDH1A1 (0.71) AKR1C2KDM4EALDH1A1HPGDMAPT
SCHEMBL29628777 0.84 ALDH1A1 (0.71) AKR1C2KDM4EALDH1A1HPGDMAPT
SCHEMBL11082444 0.81 AKR1C2 (0.52) HTR6HTR1AHTR1DHTR1EHTR7
SCHEMBL7952945 0.80 HTR6 (0.62) HTR6HTR1AHTR1DHTR2AHTR2C
SCHEMBL3387548 0.80 ALDH1A1 (0.52) AKR1C2KDM4EALDH1A1HPGDMAPT

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
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
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
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed