SCHEMBL12418396

SCHEMBL12418396

CCC(C)(CC)c1ccc(Nc2ccc(-c3cccc(CCCCCCc4ccc5c(c4)CC5)c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.35
▸ S1PR3 Q99500 4/20 0.35
▸ S1PR4 O95977 2/20 0.35
▸ S1PR5 Q9H228 2/20 0.35
▸ CCR5 P51681 3/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ GRIN2B Q13224 1/20 0.32
▸ F9 P00740 1/20 0.32
▸ FFAR1 O14842 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 0.94 KIF11 (0.37) S1PR1S1PR3S1PR4S1PR5GRIN2B
SCHEMBL12653315 0.94 KIF11 (0.37) S1PR1S1PR3S1PR4S1PR5GRIN2B
SCHEMBL12795804 0.92 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5GRIN2B
SCHEMBL12793986 0.90 KIF11 (0.39) S1PR1S1PR3S1PR4S1PR5GRIN2B
SCHEMBL14652951 0.88 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5MOGAT2
SCHEMBL12418398 0.87 GRIN2B (0.33) S1PR1S1PR3S1PR4S1PR5CCR5
SCHEMBL12793987 0.87 CCR5 (0.31) S1PR1S1PR3S1PR4S1PR5CCR5
SCHEMBL12419188 0.86 S1PR1 (0.33) S1PR1S1PR3S1PR4S1PR5GRIN2B
SCHEMBL12418228 0.86 KIF11 (0.34) S1PR1S1PR3S1PR4S1PR5GRIN2B
SCHEMBL12653457 0.85 DRD2 (0.34) S1PR1S1PR3S1PR4S1PR5GRIN2B

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
US-20110198573-A1 CHARGE-TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2011-08-18 — — US disclosed
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