SCHEMBL28615015

SCHEMBL28615015

CS(=O)(=O)OC(C#Cc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ACACB O00763 1/20 0.47
MAPK1 P28482 1/20 0.45
PHGDH O43175 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
GRM5 P41594 1/20 0.42
AKR1C3 P42330 1/20 0.41
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL20183911 0.76 HPGD (0.50) HPGDSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL5048054 0.72 HPGD (0.59) HPGDSMN1; SMN2ALDH1A1L3MBTL1ACACB
SCHEMBL3644126 0.71 GRM5 (0.71) HPGDSMN1; SMN2ALDH1A1L3MBTL1ACACB
SCHEMBL104961 0.71 ALDH1A1 (0.71) HPGDSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL21360559 0.70 HPGD (0.60) HPGDSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL3644132 0.70 EPHX2 (0.66) HPGDSMN1; SMN2ALDH1A1L3MBTL1ACACB
SCHEMBL10720943 0.70 PHGDH (0.81) HPGDSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL23095843 0.69 PHGDH (0.65) HPGDSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL7338701 0.69 PHGDH (0.65) HPGDSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL20183883 0.69 HPGD (0.59) HPGDSMN1; SMN2ALDH1A1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349874-B Compound having BLT inhibitory activity and composition for preventing or treating inflammatory disease comprising the same as active ingredient 东国大学校产学协力团 2021-07-27 CN disclosed