SCHEMBL9629339

SCHEMBL9629339

CCOC(=O)C(Br)C(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
PIN1 Q13526 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 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
SCHEMBL13168131 0.85 CYP1A2 (0.41) MMP8SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6579990 0.84 MMP8 (0.53) MMP8SMN1; SMN2PIN1MEN1NPC1
SCHEMBL7438004 0.83 ALDH1A1 (0.51) MEN1KMT2ATSHRTDP1LMNA
SCHEMBL5861489 0.83 MMP8 (0.51) MMP8SMN1; SMN2PIN1MEN1NPC1
SCHEMBL27638557 0.83 MMP8 (0.51) MMP8SMN1; SMN2PIN1MEN1NPC1
SCHEMBL13168073 0.82 KMT2A (0.58) MEN1KMT2ATSHRLMNA
SCHEMBL13751893 0.82 MMP8 (0.54) MMP8SMN1; SMN2PIN1MEN1NPC1
SCHEMBL16477715 0.82 MMP8 (0.54) MMP8SMN1; SMN2PIN1MEN1NPC1
SCHEMBL9225532 0.82 MMP8 (0.54) MMP8SMN1; SMN2PIN1MEN1NPC1
SCHEMBL13168140 0.81 SMN1; SMN2 (0.38) SMN1; SMN2MEN1NPC1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124342-A Antiinflammatory, antiarthritic agents; antiallergens; skin disorders ABBOTT LABORATORIES (US) 1992-06-23 US disclosed
EP-0457803-A4 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS 1991-12-04 EP disclosed
EP-0457803-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1991-11-27 EP disclosed
WO-1990009801-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-09-07 WO disclosed
WO-1990009381-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-08-23 WO disclosed