SCHEMBL13333776

SCHEMBL13333776

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5c(-c5ccc6ccccc6c5)c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc45)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ PDK2 Q15119 6/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SOS1 Q07889 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL13333573 0.97 PDK2 (0.32) LPLLIPGPDK2CYP1A2CYP2D6
SCHEMBL13333478 0.97 PDK2 (0.32) LPLLIPGPDK2CYP1A2CYP2D6
SCHEMBL13333748 0.96 PDK2 (0.33) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL12770688 0.96 SLC6A2 (0.30) PDK2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL13615750 0.95 PDK2 (0.33) LPLLIPGPDK2
SCHEMBL13615774 0.95 PDK2 (0.33) LPLLIPGPDK2
SCHEMBL12337348 0.95 PDK2 (0.33) LPLLIPGPDK2ESR1ESR2
SCHEMBL15081594 0.94 PDK2 (0.31) LPLLIPGPDK2
SCHEMBL13333897 0.94 CYP1A2 (0.32) PDK2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL12770697 0.93 HDAC4 (0.33) LPLLIPGPDK2SLC6A2SLC6A4

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-2194110-A1 Electroluminescent device using electroluminescent compounds Gracel Display Inc. (KR) 2010-06-09 — — EP disclosed
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