SCHEMBL7993343

SCHEMBL7993343

NC(=O)C12CCC(CC(CSc3ccc(Oc4ccc(F)cc4)cc3)(C(=O)O)C1)O2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 8/20 0.33
FPR2 P25090 5/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PARP10 Q53GL7 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5 P09917 2/20 0.30

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
SCHEMBL7991333 0.82 MMP2 (0.40) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6995243 0.80 MMP1 (0.46) ALDH1A1KCNH2MMP1MMP2MMP3
SCHEMBL8072826 0.74 MMP2 (0.44) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL7303606 0.74 MMP1 (0.43) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL25908 0.73 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7993451 0.72 MMP1 (0.45) ALDH1A1KCNH2MMP1MMP2MMP3
SCHEMBL4575861 0.72 MMP1 (0.42) SCN9AFPR2MMP1MMP2MMP3
SCHEMBL6995857 0.71 MMP1 (0.46) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL7993340 0.71 MMP1 (0.56) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL6995225 0.69 MMP1 (0.42) ALDH1A1MMP1MMP2MMP3MMP9

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-6288246-B1 REACTION OF HYDROXYLAMINE WITH ALKYLSILYL HALIDE, HYDROLYSIS WITH ACID PFIZER INC 2001-09-11 US disclosed
EP-0949244-A2 Process for preparing hydroxamic acids Pfizer Products Inc. (US) 1999-10-13 EP disclosed