SCHEMBL9380552

SCHEMBL9380552

CCCCOc1ccc(C(O)CN)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.51
TAAR1 Q96RJ0 2/20 0.50
HTR3A P46098 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
HIF1A Q16665 1/20 0.50
LTA4H P09960 1/20 0.49
NR5A1 Q13285 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL8966721 0.95 NR5A1 (0.57) SLC2A1TSHRLTA4HNR5A1ALOX15
SCHEMBL25101010 0.93 TAAR1 (0.50) SLC2A1TAAR1HTR3ATSHRNFKB1
SCHEMBL7148796 0.85 NQO1 (0.54) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL9499186 0.85 LTA4H (0.52) SLC2A1LTA4HNR5A1LMNAMAPK1
SCHEMBL11499413 0.84 TAAR1 (0.48) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL10305096 0.84 TAAR1 (0.52) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL27269027 0.82 LTA4H (0.49) SLC2A1LTA4HNR5A1KDM4ETDP1
SCHEMBL9498490 0.82 NR5A1 (0.58) SLC2A1TSHRLTA4HNR5A1LMNA
SCHEMBL11076625 0.81 SLC2A1 (0.54) SLC2A1TSHRLTA4HNR5A1LMNA
SCHEMBL13303326 0.81 LTA4H (0.55) SLC2A1LTA4HNR5A1LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed
EP-0292699-A2 Urea based lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-11-30 EP disclosed