SCHEMBL28615017

SCHEMBL28615017

O=C(c1ccc(C#CCCS(=O)(=O)O)cc1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
ACACB O00763 1/20 0.49
PHGDH O43175 1/20 0.49
GRM5 P41594 1/20 0.46
AKR1C3 P42330 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
MLYCD O95822 1/20 0.43
POLB P06746 1/20 0.43
DNMT1 P26358 1/20 0.43
PTPN7 P35236 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL20183883 0.81 HPGD (0.59) HPGDSMN1; SMN2L3MBTL1MAPK1ACACB
SCHEMBL20183911 0.78 HPGD (0.50) HPGDSMN1; SMN2L3MBTL1MAPK1ACACB
SCHEMBL3644126 0.76 GRM5 (0.71) HPGDSMN1; SMN2L3MBTL1MAPK1ACACB
SCHEMBL3644132 0.74 EPHX2 (0.66) HPGDSMN1; SMN2L3MBTL1MAPK1ACACB
SCHEMBL21360559 0.74 HPGD (0.60) HPGDSMN1; SMN2L3MBTL1MAPK1ACACB
SCHEMBL10720943 0.74 PHGDH (0.81) HPGDSMN1; SMN2L3MBTL1MAPK1PHGDH
SCHEMBL7338701 0.73 PHGDH (0.65) HPGDSMN1; SMN2L3MBTL1MAPK1PHGDH
SCHEMBL5048054 0.73 HPGD (0.59) HPGDSMN1; SMN2L3MBTL1MAPK1ACACB
SCHEMBL15904115 0.72 PHGDH (0.63) HPGDSMN1; SMN2L3MBTL1MAPK1PHGDH
SCHEMBL21524887 0.72 PHGDH (0.63) HPGDSMN1; SMN2L3MBTL1MAPK1PHGDH

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