SCHEMBL4632802

SCHEMBL4632802

CCCN(C(=O)Oc1ccccc1OCCOC)S(=O)(=O)N1Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.40
RAB9A P51151 1/20 0.37
LIPE Q05469 1/20 0.34
POLB P06746 1/20 0.34
PRMT5 O14744 2/20 0.34
AKR1C3 P42330 1/20 0.34
GAA P10253 1/20 0.34
BCHE P06276 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4602508 0.67 PDE4A (0.40) GAABCHEACHELMNA
SCHEMBL26698283 0.66 LMNA (0.46) POLBGAANPSR1LMNA
SCHEMBL24596803 0.66 KDM4E (0.52) POLBGAACYP1A2NPSR1LMNA
SCHEMBL11556984 0.65 ALDH1A1 (0.55) GAAACHENPSR1LMNA
SCHEMBL2974587 0.63 MAPT (0.56) RAB9AGAACYP1A2CYP2C19NPSR1
SCHEMBL31360836 0.60 L3MBTL1 (0.66) RAB9APOLBGAACYP1A2CYP2C19
SCHEMBL24615167 0.60 L3MBTL1 (0.66) RAB9APOLBGAACYP1A2CYP2C19
SCHEMBL9270489 0.60 L3MBTL1 (0.43) GAANPSR1LMNA
SCHEMBL385973 0.59 HSP90AA1 (0.59) GAACYP1A2CYP2C19NPSR1LMNA
SCHEMBL9694999 0.59 MAPT (0.44) GAANPSR1LMNA

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
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed