SCHEMBL7963161

SCHEMBL7963161

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
F10 P00742 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SQSTM1 Q13501 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ANO1 Q5XXA6 1/20 0.37

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
SCHEMBL4568014 0.88 SMN1; SMN2 (0.41) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL4568377 0.87 KMT2A (0.39) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL5241843 0.87 AKR1C3 (0.48) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL4568024 0.87 ABCB1 (0.39) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL17233418 0.85 KMT2A (0.41) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL14628609 0.85 KMT2A (0.41) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL4568373 0.85 KMT2A (0.44) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL7953132 0.85 CYP1A2 (0.44) NPSR1ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL4568019 0.84 MTNR1B (0.40) KMT2ANPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4568371 0.84 TAS1R3 (0.39) KMT2ANPSR1ALDH1A1F10SMN1; 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 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