SCHEMBL9440941

SCHEMBL9440941

OCCCc1nc(-c2ccc(Cl)cc2)co1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.56
S1PR1 P21453 8/20 0.43
S1PR3 Q99500 3/20 0.43
LTA4H P09960 1/20 0.43
NOTUM Q6P988 4/20 0.40
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR8 Q9NR97 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL9440535 0.84 LTA4H (0.43) SIRT2S1PR1S1PR3LTA4HNOTUM
SCHEMBL9440855 0.84 DAGLA (0.46) SIRT2S1PR1S1PR3ALDH1A1
SCHEMBL9833295 0.83 NOTUM (0.51) SIRT2S1PR1S1PR3LTA4HNOTUM
SCHEMBL13732790 0.81 S1PR1 (0.54) S1PR1S1PR3LTA4HALDH1A1TLR8
SCHEMBL4178491 0.81 S1PR1 (0.47) SIRT2S1PR1S1PR3TLR8
SCHEMBL4329816 0.80 DAGLA (0.47) ALDH1A1
SCHEMBL9441026 0.79 TSHR (0.58) S1PR1S1PR3ALDH1A1
SCHEMBL9441048 0.78 SIRT2 (0.63) SIRT2S1PR1S1PR3LTA4HNOTUM
SCHEMBL10435551 0.78 TSHR (0.44) S1PR1S1PR3LTA4HNPSR1RAB9A
SCHEMBL4322293 0.77 HDAC1 (0.64)

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
EP-0382199-A1 Oxazole compounds and their use Takeda Chemical Industries, Ltd. (JP) 1990-08-16 EP claimed
US-5371098-A Use of oxazole compounds to treat osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5239080-A Oxazole compounds and their use as antidiabetic and bone-reduction inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-24 US disclosed
EP-0440183-A1 Oxazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-07 EP disclosed
EP-0382199-A1 Oxazole compounds and their use Takeda Chemical Industries, Ltd. (JP) 1990-08-16 EP disclosed