SCHEMBL7220128

SCHEMBL7220128

O=S(=O)(O)CCCOc1ccc(F)cc1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
BRCA1 P38398 1/20 0.47
GMNN O75496 1/20 0.47
PKM P14618 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
HIF1A Q16665 1/20 0.47
FAAH O00519 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL4364349 0.98 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPOLBALDH1A1RAB9A
SCHEMBL4872642 0.89 ALDH1A1 (0.54) SMN1; SMN2LMNAPOLBALDH1A1RAB9A
SCHEMBL5583900 0.87 ALDH1A1 (0.53) SMN1; SMN2LMNAPOLBALDH1A1RAB9A
SCHEMBL11480102 0.84 LTA4H (0.50) SMN1; SMN2LMNAPOLBALDH1A1RAB9A
SCHEMBL20913146 0.83 RAB9A (0.57) SMN1; SMN2LMNAPOLBALDH1A1RAB9A
SCHEMBL11284597 0.82 ALDH1A1 (0.51) SMN1; SMN2LMNAPOLBALDH1A1RAB9A
SCHEMBL11278627 0.81 KCNA3 (0.56) SMN1; SMN2LMNAPOLBALDH1A1RAB9A
SCHEMBL15480485 0.81 LTA4H (0.52) SMN1; SMN2LMNAPOLBALDH1A1RAB9A
SCHEMBL5583901 0.81 RAB9A (0.55) SMN1; SMN2LMNAPOLBALDH1A1RAB9A
SCHEMBL11275464 0.81 ALDH1A1 (0.52) SMN1; SMN2LMNAPOLBALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599890-B1 Inhibitors of matrix metalloproteinases or the production of tumor necrosis factor PFIZER INC 2003-07-29 US disclosed
EP-0960098-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1999-12-01 EP disclosed
WO-1998034918-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1998-08-13 WO disclosed