SCHEMBL9440975

SCHEMBL9440975

CCOC(=O)CCc1nc(-c2ccccc2)co1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PTPN1 P18031 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.44
DAGLA Q9Y4D2 1/20 0.44
S1PR4 O95977 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL9440912 0.87 TSHR (0.49) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL23135332 0.86 SMN1; SMN2 (0.58) PARP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL9440996 0.79 RXRA (0.42) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL23135333 0.78 DAGLA (0.43) ALDH1A1KDM4ESMN1; SMN2GAADAGLA
SCHEMBL4333153 0.78 TSHR (0.46) ALDH1A1HPGDKDM4ESMN1; SMN2CYP4F2
SCHEMBL9440823 0.78 MEN1 (0.59) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL4343281 0.78 FAAH (0.53) ALDH1A1HPGDKDM4ESMN1; SMN2CYP4F2
SCHEMBL4329577 0.77 ENPP3 (0.46) ALDH1A1HPGDKDM4EPTPN1MAPT
SCHEMBL6260123 0.77 NPPA (0.45) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL3048357 0.77 DAGLA (0.54) HPGDMAPTDAGLA

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-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