SCHEMBL8720480

SCHEMBL8720480

CCCCCCCOc1ccc2c(n1)CCc1nc(OCCCC)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.41
SOAT1 P35610 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LTA4H P09960 1/20 0.39
TP53 P04637 2/20 0.38
HPGD P15428 1/20 0.38
MCHR1 Q99705 1/20 0.38
TLR8 Q9NR97 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 4/20 0.37
S1PR5 Q9H228 4/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL8720107 1.00 NR5A1 (0.41) NR5A1SOAT1NPC1RAB9ACYP3A4
SCHEMBL8722593 1.00 NR5A1 (0.41) NR5A1SOAT1NPC1RAB9ACYP3A4
SCHEMBL8720471 1.00 NR5A1 (0.41) NR5A1SOAT1NPC1RAB9ACYP3A4
SCHEMBL8905272 0.98 SOAT1 (0.41) NR5A1SOAT1NPC1RAB9ACYP3A4
SCHEMBL8724290 0.98 SOAT1 (0.41) NR5A1SOAT1NPC1RAB9ACYP3A4
SCHEMBL8904131 0.98 SOAT1 (0.41) NR5A1SOAT1NPC1RAB9ACYP3A4
SCHEMBL8723201 0.98 SOAT1 (0.41) NR5A1SOAT1NPC1RAB9ACYP3A4
SCHEMBL8719325 0.98 SOAT1 (0.41) NR5A1SOAT1NPC1RAB9ACYP3A4
SCHEMBL8719389 0.98 SOAT1 (0.41) NR5A1SOAT1NPC1RAB9ACYP3A4
SCHEMBL8723052 0.98 SOAT1 (0.41) NR5A1SOAT1NPC1RAB9ACYP3A4

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-0839173-A1 FERROELECTRIC LIQUID CRYSTAL MIXTURE Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-05-06 EP disclosed