SCHEMBL8698981

SCHEMBL8698981

CC(C)(C)OC(=O)C(N)CCCC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.56
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
SLC15A1 P46059 2/20 0.43
SYK P43405 1/20 0.43
LMNA P02545 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC7A5 Q01650 1/20 0.41
MAPT P10636 1/20 0.41
PSMB5 P28074 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
SCHEMBL12155266 0.92 LTA4H (0.61) LTA4HALDH1A1L3MBTL1MAPK1SLC15A1
SCHEMBL7740147 0.92 LTA4H (0.61) LTA4HALDH1A1L3MBTL1MAPK1SLC15A1
SCHEMBL7740145 0.92 LTA4H (0.61) LTA4HALDH1A1L3MBTL1MAPK1SLC15A1
Hydrochloric Acid SCHEMBL25286512 0.91 LTA4H (0.60) LTA4HALDH1A1L3MBTL1MAPK1SLC15A1
Hydrochloric Acid SCHEMBL3501117 0.91 LTA4H (0.60) LTA4HALDH1A1L3MBTL1MAPK1SLC15A1
Hydrochloric Acid SCHEMBL15387431 0.91 LTA4H (0.60) LTA4HALDH1A1L3MBTL1MAPK1SLC15A1
SCHEMBL30634632 0.88 LTA4H (0.57) LTA4HALDH1A1L3MBTL1SYKSLC7A5
SCHEMBL27475486 0.88 LTA4H (0.57) LTA4HALDH1A1L3MBTL1SYKSLC7A5
SCHEMBL30869171 0.88 LTA4H (0.57) LTA4HALDH1A1L3MBTL1SYKSLC7A5
SCHEMBL20943303 0.87 ALDH1A1 (0.46) LTA4HALDH1A1L3MBTL1MAPK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed