SCHEMBL7227939

SCHEMBL7227939

COC(=O)Cc1cccc(CNCc2ccc(OCCCO)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
LTA4H P09960 2/20 0.44
SLC7A5 Q01650 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL8850625 0.83 CYP4F2 (0.62) LTA4HSMN1; SMN2CYP4F2CYP4A11KDM4E
SCHEMBL5725928 0.81 SMN1; SMN2 (0.65) HDAC1SLC7A5SMN1; SMN2KDM4EALDH1A1
SCHEMBL5726219 0.80 SLC7A5 (0.49) HDAC1SLC7A5SMN1; SMN2KDM4EMITF
SCHEMBL10243056 0.80 DRD4 (0.60) HDAC1LTA4HSLC7A5KDM4EMITF
SCHEMBL12028729 0.79 SLC7A5 (0.56) SLC7A5SMN1; SMN2CYP4F2CYP4A11KDM4E
SCHEMBL5046368 0.79 TLR7 (0.53) HDAC1SLC7A5SMN1; SMN2CYP4F2CYP4A11
SCHEMBL5725017 0.78 HDAC1 (0.46) HDAC1SLC7A5SMN1; SMN2GAAALDH1A1
SCHEMBL5725135 0.78 TLR7 (0.54) SLC7A5CYP4F2CYP4A11ALDH1A1
SCHEMBL9084330 0.77 CYP4F2 (0.54) LTA4HSMN1; SMN2CYP4F2CYP4A11KDM4E
SCHEMBL1628160 0.76 CYP4A11 (0.57) HDAC1SLC7A5CYP4F2CYP4A11KDM4E

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-6649657-B2 Administering amide to treat osteoporosis PFIZER INC. 2003-11-18 US disclosed
US-6344485-B1 Method for treating glaucoma PFIZER INC. 2002-02-05 US disclosed