SCHEMBL11887119

SCHEMBL11887119

CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc3c(c2)C(C)(C)c2cc(CCCC)ccc2-3)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SKP2 Q13309 1/20 0.41
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ MPL P40238 1/20 0.35
▸ LPL P06858 2/20 0.35
▸ LIPG Q9Y5X9 2/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ MLNR O43193 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL12374372 0.92 NPC1 (0.39) SKP2CA2CA1ALDH1A1HPGD
SCHEMBL13597530 0.92 ALDH1A1 (0.40) SKP2CA2CA1ALDH1A1HPGD
SCHEMBL11887136 0.91 PDK2 (0.43) CA2PDK2LPLLIPG
SCHEMBL11887112 0.90 PDK2 (0.39) SKP2CA2CA1ALDH1A1HPGD
SCHEMBL19075301 0.88 GPR3 (0.45) ALDH1A1PDK2LPLLIPGGPR3
SCHEMBL17124516 0.88 GPR3 (0.39) SKP2ALDH1A1HSD17B10CYP3A4LPL
SCHEMBL17124517 0.87 GPR3 (0.39) SKP2ALDH1A1HSD17B10CYP3A4LPL
SCHEMBL18537495 0.85 PDK2 (0.39) CA2CA1ALDH1A1CYP3A4CYP2D6
SCHEMBL12374371 0.84 LPL (0.36) SKP2HPGDCYP3A4CYP2D6CYP2C9
SCHEMBL17678553 0.81 SMN1; SMN2 (0.40) SKP2CA2CA1ALDH1A1HPGD

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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