SCHEMBL15908015

SCHEMBL15908015

CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5cc(-c6cccs6)ccc5c4)c4ccccc34)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.44
▸ PGR P06401 2/20 0.38
▸ ALK Q9UM73 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ALOX5 P09917 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SLC6A11 P48066 1/20 0.33
▸ RPS6KB2 Q9UBS0 1/20 0.33
▸ CYP17A1 P05093 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ LPL P06858 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ HDAC1 Q13547 3/20 0.32
▸ HDAC2 Q92769 3/20 0.32
▸ HDAC3 O15379 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL15908010 0.88 PDK2 (0.40) PDK2PGRALKKCNH2ALOX5
SCHEMBL10153460 0.84 PDK2 (0.46) PDK2PGRALKKCNH2ALOX5
SCHEMBL15908011 0.81 CYP1A2 (0.36) PDK2
SCHEMBL25591788 0.80 LPL (0.38) ALOX5CYP17A1LPLLIPGHDAC2
SCHEMBL10014418 0.80 PDK2 (0.57) PDK2PGRKCNH2ALOX5PTGS1
SCHEMBL12306539 0.80 PDK2 (0.48) PDK2PGRALKKCNH2ALOX5
SCHEMBL19569658 0.78 ALOX5 (0.44) ALOX5KDM4EMAPT
SCHEMBL19564781 0.76 — —
SCHEMBL15908009 0.76 CYP11B2 (0.49) PDK2PGRCYP17A1CYP3A4CDK2
SCHEMBL6521126 0.75 HDAC4 (0.37) ALOX5CYP3A4LPLLIPGHDAC2

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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