SCHEMBL7952945

SCHEMBL7952945

CCCc1[nH]c2ccc(OC)cc2c1CC(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.62
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
AKR1C2 P52895 1/20 0.53
ALDH1A1 P00352 4/20 0.53
MTNR1A P48039 8/20 0.52
MTNR1B P49286 8/20 0.52
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1E P28566 1/20 0.51
HTR7 P34969 1/20 0.51
HTR5A P47898 1/20 0.51
NQO2 P16083 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 2/20 0.50

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) HTR6MEN1KMT2AAKR1C2ALDH1A1
SCHEMBL9200463 0.84 HTR6 (0.75) HTR6MEN1KMT2AATML3MBTL1
SCHEMBL31543684 0.82 MTNR1A (0.75) ALDH1A1MTNR1AMTNR1BNQO2KDM4E
SCHEMBL30604527 0.82 AKR1C2 (0.78) HTR6MEN1KMT2AAKR1C2ALDH1A1
SCHEMBL6825151 0.82 AKR1C2 (0.78) HTR6MEN1KMT2AAKR1C2ALDH1A1
SCHEMBL11082447 0.81 HTR6 (0.57) HTR6MEN1KMT2AAKR1C2ALDH1A1
SCHEMBL7962079 0.81 NQO2 (0.66) MEN1KMT2AAKR1C2ALDH1A1MTNR1A
SCHEMBL7952956 0.80 HTR6 (0.57) HTR6MEN1KMT2AL3MBTL1AKR1C2
SCHEMBL6703468 0.80 KDM4E (0.69) MEN1KMT2AAKR1C2ALDH1A1KDM4E
SCHEMBL30282783 0.78 SIRT1 (0.51) MEN1KMT2AATML3MBTL1ALDH1A1

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