SCHEMBL27992222

SCHEMBL27992222

CCCCCCOc1ccnc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 4/20 0.43
▸ PTGS2 P35354 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SOAT1 P35610 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PLA2G2D Q9UNK4 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ BLM P54132 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL27972336 0.82 FFAR4 (0.52) FFAR4SOAT1GAATHRATHRB
SCHEMBL27536300 0.78 SOAT1 (0.51) FFAR4SOAT1
SCHEMBL9152731 0.77 CYP2D6 (0.51) GAACYP3A4CYP2D6
SCHEMBL9750495 0.77 CYP2D6 (0.51) GAACYP3A4CYP2D6
SCHEMBL27974241 0.77 FFAR4 (0.48) FFAR4SOAT1GAA
SCHEMBL5311897 0.76 SOAT1 (0.49) FFAR4SOAT1
SCHEMBL6951827 0.76 CYP3A4 (0.47) FFAR4SOAT1CYP3A4CYP2D6
SCHEMBL27988090 0.76 PDE2A (0.39) FFAR4SOAT1THRATHRBCYP3A4
SCHEMBL10585164 0.75 CYP2D6 (0.53) GAACYP3A4CYP2D6
SCHEMBL27964593 0.72 FFAR4 (0.41) FFAR4SOAT1THRATHRBHDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104327124-A Blue phosphorescent iridium metal complex and preparation method thereof and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2015-02-04 — — CN disclosed
CN-104327833-A Blue phosphorescent iridium metal complex and preparation method thereof and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2015-02-04 — — CN disclosed
CN-104327834-A Blue organic electrophosphorescent material and preparation method and application thereof OCEANS KING LIGHTING SCIENCE 2015-02-04 — — CN disclosed
CN-104327835-A Blue organic electrophosphorescent material and preparation method and application thereof OCEANS KING LIGHTING SCIENCE 2015-02-04 — — CN disclosed
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