SCHEMBL8300418

SCHEMBL8300418

CCc1cc2cc(OC)ccc2n1CCC(=O)Cc1cc(OC)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
AKR1C3 P42330 2/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
BRD4 O60885 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1I2 O75469 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ABCB1 P08183 1/20 0.34
DYRK1A Q13627 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1C2 P52895 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL8291693 0.88 CNR2 (0.37) MTNR1AMTNR1BAKR1C3KDM4EALDH1A1
SCHEMBL7962276 0.80 AKR1C3 (0.41) MTNR1AMTNR1BAKR1C3KDM4EALDH1A1
SCHEMBL2156670 0.78 AKR1C3 (0.48) AKR1C3ALDH1A1HSD17B10NR1I2SMN1; SMN2
SCHEMBL24254051 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10NR1I2SMN1; SMN2MAPT
SCHEMBL8762255 0.71 TAS1R3 (0.44) KDM4EALDH1A1HPGDHSD17B10NR1I2
SCHEMBL3225589 0.71 NR1I2 (0.41) ALDH1A1HSD17B10NR1I2
SCHEMBL8761832 0.70 TAS1R3 (0.43) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL8502442 0.70 MAPT (0.46) MTNR1AMTNR1BKDM4EALDH1A1NR1I2
SCHEMBL5241843 0.70 AKR1C3 (0.48) MTNR1AMTNR1BAKR1C3KDM4EALDH1A1
SCHEMBL8085605 0.69 ALDH1A1 (0.42) MTNR1AMTNR1BALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620214-B1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors LILLY CO ELI (US) 1999-03-03 EP disclosed
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed