SCHEMBL12653315

SCHEMBL12653315

CCC(C)(CC)c1ccc(-c2ccc(Nc3cccc(CCCCCCCCc4ccc5c(c4)CC5)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.37
▸ S1PR1 P21453 6/20 0.35
▸ S1PR3 Q99500 5/20 0.35
▸ S1PR4 O95977 3/20 0.35
▸ S1PR5 Q9H228 3/20 0.35
▸ MLNR O43193 1/20 0.33
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ FDFT1 P37268 1/20 0.32
▸ MOGAT2 Q3SYC2 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SERPINE1 P05121 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
SCHEMBL12418229 1.00 KIF11 (0.37) KIF11S1PR1S1PR3S1PR4S1PR5
SCHEMBL12793986 0.97 KIF11 (0.39) KIF11S1PR1S1PR3S1PR4S1PR5
SCHEMBL12418396 0.94 S1PR1 (0.35) S1PR1S1PR3S1PR4S1PR5GRIN2B
SCHEMBL12419188 0.92 S1PR1 (0.33) KIF11S1PR1S1PR3S1PR4S1PR5
SCHEMBL12795804 0.92 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5MLNR
SCHEMBL12418228 0.92 KIF11 (0.34) KIF11S1PR1S1PR3S1PR4S1PR5
SCHEMBL12418398 0.87 GRIN2B (0.33) S1PR1S1PR3S1PR4S1PR5GRIN2B
SCHEMBL12653457 0.87 DRD2 (0.34) S1PR1S1PR3S1PR4S1PR5MLNR
SCHEMBL12419261 0.86 SERPINE1 (0.37) KIF11FDFT1SERPINE1
SCHEMBL15381057 0.85 KIF11 (0.38) KIF11MLNRGRIN2BFDFT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130020562-A1 POLYMER COMPOUND, NET-LIKE POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION 2013-01-24 — — US disclosed
US-20110108814-A1 POLYMER COMPOUND, NET-LIKE POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2011-05-12 — — US disclosed
EP-2314639-A1 CHARGE-TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE AND ORGANIC EL ILLUMINATING DEVICE Mitsubishi Chemical Corporation (JP) 2011-04-27 — — EP disclosed
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