SCHEMBL8296753

SCHEMBL8296753

CCC(=O)Cc1ccc(Cl)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGER1 P34995 2/20 0.39
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 2/20 0.38
GRIK1 P39086 1/20 0.38
CYP2C9 P11712 1/20 0.38
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL16614204 0.87 IDO1 (0.45) IDO1HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL4568016 0.86 IDO1 (0.44) IDO1HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL31021659 0.84 IDO1 (0.46) IDO1HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL17230177 0.84 IDO1 (0.46) IDO1HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL5241843 0.84 AKR1C3 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL31021847 0.83 IDO1 (0.46) IDO1HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL17930966 0.83 IDO1 (0.46) IDO1HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL21734883 0.80 IDO1 (0.44) IDO1HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL3787046 0.79 KMT2A (0.54) IDO1HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL13404531 0.78 PTGER1 (0.41) IDO1HSP90AA1HSP90AB1KMT2AMEN1

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
CN-1067986-C 1H-indole-3-acetic acid hydrazide spla2 inhibitors LILLY CO ELI (US) 2001-07-04 CN disclosed
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