SCHEMBL2669347

SCHEMBL2669347

Cc1ccccc1COCCCCC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
KDM4E B2RXH2 3/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
SLC1A5 Q15758 1/20 0.39
CHRM3 P20309 1/20 0.38
FPR2 P25090 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3166473 0.83 THRA (0.49) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL9072520 0.81 IDO1 (0.47) MAOBSLC1A5POLBL3MBTL1
SCHEMBL2669466 0.81 ALDH1A1 (0.54) MAOBALDH1A1
SCHEMBL4846056 0.80 CHRM3 (0.44) MAOBKDM4ECHRM3ALDH1A1TAAR1
SCHEMBL6928724 0.80 MAOB (0.47) MAOBKDM4ETHRATHRBSLC1A5
SCHEMBL24674904 0.79 TSHR (0.40) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL3079544 0.78 CHRM3 (0.45) MAOBKDM4ETHRATHRBCHRM3
SCHEMBL6237592 0.78 MAOB (0.40) MAOBKDM4ESLC1A5CHRM3ALDH1A1
SCHEMBL2668500 0.78 KCNH2 (0.46) KDM4EALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL2669460 0.78 MAOB (0.52) MAOBHDAC1HDAC2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO disclosed