SCHEMBL7962276

SCHEMBL7962276

CCCC(=O)Cc1cc(OC)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.41
NR1I2 O75469 1/20 0.40
AKR1C2 P52895 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
LPAR1 Q92633 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2156670 0.90 AKR1C3 (0.48) AKR1C3NR1I2AKR1C2TAS1R3TAS1R1
SCHEMBL8292635 0.86 CYP1A2 (0.43) SMN1; SMN2MAPT
SCHEMBL24254051 0.86 ALDH1A1 (0.46) NR1I2TAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL8291777 0.84 KCNQ4 (0.43) SMN1; SMN2MAPT
SCHEMBL8762255 0.82 TAS1R3 (0.44) NR1I2TAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL3225589 0.82 NR1I2 (0.41) NR1I2TAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL8761832 0.81 TAS1R3 (0.43) NR1I2TAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL8502442 0.81 MAPT (0.46) NR1I2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5241843 0.81 AKR1C3 (0.48) AKR1C3NR1I2AKR1C2ALDH1A1SMN1; SMN2
SCHEMBL8300418 0.80 MTNR1A (0.38) AKR1C3NR1I2AKR1C2ALDH1A1SMN1; 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 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