SCHEMBL8638408

SCHEMBL8638408

CCCC(N)(C(=O)OC)C(C)Oc1ccc(Cc2cccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
RAB9A P51151 6/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 4/20 0.40
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
DNMT1 P26358 1/20 0.40
PTPN7 P35236 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 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
SCHEMBL8641136 0.89 LTA4H (0.43) LTA4HRAB9AHPGDPOLBGAA
SCHEMBL8639364 0.85 PPARG (0.44) LTA4HRAB9AL3MBTL1ALDH1A1NPC1
SCHEMBL8637374 0.82 LTA4H (0.43) LTA4HGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL8644119 0.75 PPARG (0.47) LTA4HL3MBTL1
SCHEMBL8638403 0.72 LTA4H (0.39) LTA4HRAB9AHPGDPOLBGAA
SCHEMBL8640502 0.70 LTA4H (0.43) LTA4HALDH1A1TRPM8PTGS1PTGS2
SCHEMBL8641132 0.69 LTA4H (0.42) LTA4HRAB9AHPGDPOLBGAA
SCHEMBL8909018 0.69 LTA4H (0.43) LTA4HRAB9AHPGDPOLBGAA
SCHEMBL546118 0.67 L3MBTL1 (0.57) LTA4HRAB9AHPGDPOLBGAA
SCHEMBL10526948 0.67 LTA4H (0.52) LTA4HRAB9AHPGDPOLBGAA

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed