SCHEMBL7953540

SCHEMBL7953540

COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.43
ABL1 P00519 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CPS1 P31327 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
MAPK1 P28482 1/20 0.40
BRAF P15056 1/20 0.40
NR1I2 O75469 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LPAR1 Q92633 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
SCHEMBL27969536 0.83 KDM4E (0.51) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL4395697 0.83 MAPT (0.56) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL2795277 0.83 NPC1 (0.46) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL31372038 0.83 NPC1 (0.46) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL8085605 0.82 ALDH1A1 (0.42) STSMAPTNPC1RAB9AALDH1A1
SCHEMBL2589170 0.80 ALDH1A1 (0.63) MAPTKDM4ELMNANPC1RAB9A
SCHEMBL4568375 0.80 EPHX2 (0.42) STSABL1MAPTNPC1RAB9A
SCHEMBL13409781 0.78 SERPINE1 (0.43) KDM4ENPC1RAB9ATAS1R3TAS1R1
SCHEMBL24253966 0.77 POLB (0.56) MAPTKDM4ERAB9AALDH1A1NR1I2
SCHEMBL2157110 0.77 RAB9A (0.53) NPC1RAB9ANR1I2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1068588-C 1H-indole-3-acetamide splA2 inhibitors LILLY CO ELI (US) 2001-07-18 CN disclosed
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
CN-1098715-A PLA 2 inhibitors 1H-indole-3-acetamide compounds LILLY CO ELI (US) 1995-02-15 CN disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed