SCHEMBL9684113

SCHEMBL9684113

CCCCN(CCCC)C(=O)c1ccc(CCCN(C[C@H](O)COc2ccccc2)C[C@H](O)COc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.38
KCNH2 Q12809 1/20 0.38
ABCB1 P08183 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
TSHR P16473 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
SCHEMBL9684101 1.00 KDM4E (0.47) KDM4EMAPK1TDP1POLBNPSR1
SCHEMBL9685296 0.86 ATM (0.45) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL9685304 0.86 ATM (0.45) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL9685156 0.85 ACKR3 (0.46) KDM4EMAPK1TDP1POLBNPSR1
SCHEMBL9685147 0.85 ACKR3 (0.46) KDM4EMAPK1TDP1POLBNPSR1
SCHEMBL9787234 0.83 MAPK1 (0.52) KDM4EMAPK1TDP1POLBNPSR1
SCHEMBL9787231 0.83 MAPK1 (0.52) KDM4EMAPK1TDP1POLBNPSR1
SCHEMBL6931910 0.79 MAPK1 (0.69) KDM4EMAPK1TDP1POLBNPSR1
SCHEMBL9684886 0.78 ALDH1A1 (0.47) MAPK1POLBNPSR1MAPTALDH1A1
SCHEMBL9684893 0.78 ALDH1A1 (0.47) MAPK1POLBNPSR1MAPTALDH1A1

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-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