SCHEMBL8719332

SCHEMBL8719332

CCCCCOc1ccc2c(n1)CCc1nc(OCCCCC)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.39
MCHR1 Q99705 2/20 0.38
TLR8 Q9NR97 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR5A1 Q13285 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL8720130 0.98 SOAT1 (0.41) SOAT1MCHR1TLR8CYP3A4CYP2D6
SCHEMBL8904131 0.98 SOAT1 (0.41) SOAT1MCHR1TLR8CYP3A4CYP2D6
SCHEMBL8723270 0.98 SOAT1 (0.41) SOAT1MCHR1TLR8CYP3A4CYP2D6
SCHEMBL8723201 0.98 SOAT1 (0.41) SOAT1MCHR1TLR8CYP3A4CYP2D6
SCHEMBL8719325 0.98 SOAT1 (0.41) SOAT1MCHR1TLR8CYP3A4CYP2D6
SCHEMBL8905272 0.98 SOAT1 (0.41) SOAT1MCHR1TLR8CYP3A4CYP2D6
SCHEMBL8723052 0.98 SOAT1 (0.41) SOAT1MCHR1TLR8CYP3A4CYP2D6
SCHEMBL8724290 0.98 SOAT1 (0.41) SOAT1MCHR1TLR8CYP3A4CYP2D6
SCHEMBL8719389 0.98 SOAT1 (0.41) SOAT1MCHR1TLR8CYP3A4CYP2D6
SCHEMBL8720163 0.98 SOAT1 (0.41) SOAT1MCHR1TLR8CYP3A4CYP2D6

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
EP-0839173-A1 FERROELECTRIC LIQUID CRYSTAL MIXTURE Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-05-06 EP disclosed
US-5648021-A Phenanthrene derivatives and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed