SCHEMBL8865007

SCHEMBL8865007

O=C(O)C(=Cc1cccc2ccccc12)CBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
PTPN1 P18031 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
CRHBP P24387 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
CRHR2 Q13324 1/20 0.47
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SMPD2 O60906 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41

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
SCHEMBL8865001 1.00 KDM4E (0.55) KDM4EPTPN1ALDH1A1MAPTHPGD
SCHEMBL5698294 0.85 KDM4E (0.52) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL3817099 0.84 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL563351 0.84 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7328223 0.84 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL3817101 0.84 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7328215 0.84 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7971777 0.84 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7275466 0.83 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7275461 0.83 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646313-A PREPARING ENKEPHALINASE INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-07-08 US disclosed
US-5612371-A ENZYME INHIBITORS SOCIETE CIVILE BIOPROJECT (FR) 1997-03-18 US disclosed