SCHEMBL15908011

SCHEMBL15908011

CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5cc(F)ccc5c4)c4ccccc34)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ PDK2 Q15119 4/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ ABL1 P00519 1/20 0.30

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
SCHEMBL25591788 0.84 LPL (0.38) CYP1A2AKR1C3AKR1C2
SCHEMBL15908008 0.83 HTR1B (0.33) PDK2
SCHEMBL10153486 0.82 PDK2 (0.43) CYP1A2PDK2L3MBTL1ACHE
SCHEMBL10153398 0.81 ACHE (0.40) CYP1A2PDK2L3MBTL1DHODHACHE
SCHEMBL19569658 0.81 ALOX5 (0.44) MEN1KMT2AL3MBTL1
SCHEMBL10153510 0.81 PDK2 (0.42) CYP1A2PDK2L3MBTL1ACHE
SCHEMBL14600413 0.81 PDK2 (0.46) CYP1A2PDK2L3MBTL1ACHE
SCHEMBL10153224 0.81 PDK2 (0.46) CYP1A2PDK2L3MBTL1ACHE
SCHEMBL15908015 0.81 PDK2 (0.44) PDK2
SCHEMBL10153585 0.80 PDK2 (0.43) PDK2DHODHACHE

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
US-9048437-B2 Organic compound for organic electroluminescent device NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2015-06-02 — — US disclosed
US-9048437-B2 Organic compound for organic electroluminescent device NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2015-06-02 — — US disclosed
US-20140209866-A1 ORGANIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2014-07-31 — — US disclosed
US-20140209866-A1 ORGANIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2014-07-31 — — US disclosed
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