SCHEMBL9440928

SCHEMBL9440928

O=CCCc1nc(-c2ccc(Cl)cc2)co1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
S1PR1 P21453 7/20 0.40
S1PR3 Q99500 3/20 0.40
KMO O15229 1/20 0.35
RXRA P19793 3/20 0.34
RXRB P28702 3/20 0.34
RXRG P48443 3/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FOLH1 Q04609 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL13732790 0.80 S1PR1 (0.54) LTA4HS1PR1S1PR3POLBKDM4E
SCHEMBL9441026 0.78 TSHR (0.58) S1PR1S1PR3KMORXRARXRB
SCHEMBL9440535 0.77 LTA4H (0.43) LTA4HS1PR1S1PR3ALDH1A1SIRT2
SCHEMBL9440941 0.77 SIRT2 (0.56) LTA4HS1PR1S1PR3ALDH1A1SIRT2
SCHEMBL10435551 0.77 TSHR (0.44) LTA4HS1PR1S1PR3KMORXRA
SCHEMBL2056285 0.76 S1PR1 (0.51) LTA4HS1PR1S1PR3ALDH1A1MAPT
SCHEMBL203844 0.76 LTA4H (0.47) LTA4HS1PR1S1PR3KMOMAPT
SCHEMBL9833295 0.76 NOTUM (0.51) LTA4HS1PR1S1PR3KMOKDM4E
SCHEMBL13361932 0.74 DAGLA (0.47) S1PR1S1PR3RXRARXRBFOLH1
SCHEMBL4329816 0.73 DAGLA (0.47) RXRARXRBRXRGTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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