SCHEMBL11016291

SCHEMBL11016291

CCCCOc1cc[c]c(-c2ccc(O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
NR5A1 Q13285 1/20 0.53
GAA P10253 5/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR84 Q9NQS5 1/20 0.45
ALDH2 P05091 1/20 0.44
CYP1A2 P05177 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP19A1 P11511 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
MGAM O43451 4/20 0.39

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
SCHEMBL7072904 0.94 NR5A1 (0.58) LTA4HNR5A1GAAMEN1NPC1
SCHEMBL7072893 0.94 NR5A1 (0.58) LTA4HNR5A1GAAMEN1NPC1
SCHEMBL7078066 0.93 LTA4H (0.50) LTA4HNR5A1GAAMEN1NPC1
SCHEMBL8007736 0.88 CYP19A1 (0.48) LTA4HNR5A1NPC1RAB9ACYP1A2
SCHEMBL9783835 0.87 NR5A1 (0.50) LTA4HNR5A1ALDH1A1L3MBTL1CYP1A2
SCHEMBL7175692 0.85 CYP2C19 (0.46) L3MBTL1CYP1A2CYP2C19CYP19A1CYP2C9
SCHEMBL15067951 0.84 LTA4H (0.44) LTA4HNR5A1GAAMEN1NPC1
SCHEMBL3931754 0.83 CYP1A2 (0.40) NPC1ALDH1A1RAB9ACYP1A2CYP2C19
SCHEMBL7116978 0.82 CHRNA7 (0.46) LTA4HGAAMAPTRAB9AL3MBTL1
SCHEMBL11304411 0.81 NR5A1 (0.44) LTA4HNR5A1GAAMEN1NPC1

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
EP-0137982-A1 Heat-sensitive recording sheet JUJO PAPER CO., LTD. (JP) 1985-04-24 EP disclosed