SCHEMBL11887136

SCHEMBL11887136

CCCc1ccc(N(c2ccc(CCC)cc2)c2ccc3c(c2)C(C)(C)c2cc(CCC)ccc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.43
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ LPL P06858 2/20 0.36
▸ LIPG Q9Y5X9 2/20 0.36
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ ALOX5 P09917 1/20 0.32
▸ MCL1 Q07820 1/20 0.31
▸ CA2 P00918 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
SCHEMBL11887119 0.91 SKP2 (0.41) PDK2LPLLIPGCA2
SCHEMBL18537495 0.88 PDK2 (0.39) PDK2CNR2CA2
SCHEMBL14004029 0.84 PDK2 (0.42) PDK2MCL1
SCHEMBL14680590 0.84 PDK2 (0.42) PDK2
SCHEMBL14004037 0.84 PDK2 (0.42) PDK2MCL1
SCHEMBL14207072 0.83 PDK2 (0.36) PDK2LPLLIPG
SCHEMBL13597530 0.82 ALDH1A1 (0.40) CNR2CA2
SCHEMBL12374372 0.82 NPC1 (0.39) CNR1CNR2LPLLIPGCA2
SCHEMBL17124516 0.82 GPR3 (0.39) CNR1CNR2LPLLIPGESR1
SCHEMBL19075301 0.82 GPR3 (0.45) PDK2LPLLIPG

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
US-20120189948-A1 CHARGE TRANSPORT FILM, ORGANIC ELECTRONIC DEVICE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2012-07-26 — — US disclosed
US-20120189948-A1 CHARGE TRANSPORT FILM, ORGANIC ELECTRONIC DEVICE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2012-07-26 — — US disclosed
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