SCHEMBL9255871

SCHEMBL9255871

CCC(=O)Oc1c(C(OC(=O)CC)OC(=O)CC)c(=O)n(C)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 9/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 5/20 0.41
HSD17B10 Q99714 2/20 0.41
TNF P01375 1/20 0.40
TSHR P16473 2/20 0.39
PKM P14618 2/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL9249471 0.86 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9588260 0.83 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9256830 0.81 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9261324 0.76 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL27418174 0.75 HDAC6 (0.55) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6645999 0.70 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL29372061 0.68 ELANE (0.50) KDM4EALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL20398449 0.68 ELANE (0.50) KDM4EALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL9258929 0.68 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9253426 0.68 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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
US-5382572-A Viricides SCHERING CORPORATION (US) 1995-01-17 US disclosed
EP-0547145-A1 ANTIVIRAL 2(1H)-QUINOLINONE COMPOUNDS SCHERING CORPORATION (US) 1993-06-23 EP disclosed
WO-1992004326-A1 ANTIVIRAL COMPOUNDS SCHERING CORPORATION (US) 1992-03-19 WO disclosed