SCHEMBL9684278

SCHEMBL9684278

CCCCNCc1ccc(CCCN(C[C@H](O)COc2ccccc2)C[C@H](O)COc2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
GAA P10253 1/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL9684273 1.00 KDM4E (0.46) KDM4EMAPK1TDP1MEN1KMT2A
SCHEMBL9787234 0.85 MAPK1 (0.52) KDM4EMAPK1TDP1MEN1KMT2A
SCHEMBL9787231 0.85 MAPK1 (0.52) KDM4EMAPK1TDP1MEN1KMT2A
SCHEMBL9685147 0.83 ACKR3 (0.46) KDM4EMAPK1TDP1MEN1KMT2A
SCHEMBL9685156 0.83 ACKR3 (0.46) KDM4EMAPK1TDP1MEN1KMT2A
SCHEMBL9684236 0.81 MEN1 (0.48) KDM4EMAPK1TDP1MEN1KMT2A
SCHEMBL9684239 0.81 MEN1 (0.48) KDM4EMAPK1TDP1MEN1KMT2A
SCHEMBL6931910 0.78 MAPK1 (0.69) KDM4EMAPK1TDP1MEN1KMT2A
SCHEMBL9684101 0.78 KDM4E (0.47) KDM4EMAPK1TDP1MEN1KMT2A
SCHEMBL9684113 0.78 KDM4E (0.47) KDM4EMAPK1TDP1MEN1KMT2A

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-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed