SCHEMBL8909018

SCHEMBL8909018

CCCOC(=O)C(N)C(CC)Oc1ccc(Cc2cccs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
RAB9A P51151 6/20 0.43
POLB P06746 4/20 0.43
NPC1 O15118 4/20 0.43
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TRPM8 Q7Z2W7 4/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL8909853 0.81 LTA4H (0.42) LTA4HTRPM8PTGS1PTGS2SLC1A3
SCHEMBL8638399 0.72 LTA4H (0.55) LTA4HRAB9APOLBNPC1SMN1; SMN2
SCHEMBL8641136 0.70 LTA4H (0.43) LTA4HRAB9APOLBNPC1HPGD
SCHEMBL8638408 0.69 LTA4H (0.44) LTA4HRAB9APOLBNPC1HPGD
SCHEMBL10526948 0.68 LTA4H (0.52) LTA4HRAB9APOLBNPC1HPGD
SCHEMBL8638403 0.66 LTA4H (0.39) LTA4HRAB9APOLBNPC1HPGD
SCHEMBL8641130 0.66 LTA4H (0.56) LTA4HRAB9APOLBNPC1SMN1; SMN2
SCHEMBL9263774 0.66 LTA4H (0.56) LTA4HRAB9APOLBNPC1HPGD
SCHEMBL546118 0.65 L3MBTL1 (0.57) LTA4HRAB9APOLBNPC1HPGD
SCHEMBL9495408 0.65 NPC1 (0.58) RAB9APOLBNPC1HPGDSMN1; SMN2

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
US-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US claimed