SCHEMBL9440972

SCHEMBL9440972

Clc1ccc(-c2coc(CCCOCc3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LTA4H P09960 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
PTGER1 P34995 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
SMN1; SMN2 Q16637 3/20 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
SCHEMBL201354 0.86 DHODH (0.51) DHODHL3MBTL1TDP1ALDH1A1ENPP3
SCHEMBL9440823 0.78 MEN1 (0.59) DHODHL3MBTL1ALDH1A1ENPP3ENPP1
SCHEMBL9440525 0.78 SIRT2 (0.47) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL2756582 0.77 LTA4H (0.45) ENPP3ADRB1ADRB3LTA4HS1PR1
SCHEMBL18581467 0.76 ADRB1 (0.49) DHODHENPP3ENPP1ADRB1ADRB3
SCHEMBL9440941 0.74 SIRT2 (0.56) ALDH1A1NPSR1LTA4HS1PR1S1PR3
SCHEMBL9440535 0.74 LTA4H (0.43) L3MBTL1TDP1ALDH1A1ENPP3ENPP1
SCHEMBL12064926 0.74 DAGLA (0.56) L3MBTL1TDP1ALDH1A1ENPP3ENPP1
SCHEMBL9441048 0.74 SIRT2 (0.63) L3MBTL1TDP1ALDH1A1HPGDLTA4H
SCHEMBL2707290 0.73 ENPP3 (0.53) DHODHL3MBTL1TDP1ALDH1A1ENPP3

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