SCHEMBL12032154

SCHEMBL12032154

CCCC(N)CCc1ccc(/C=C/c2ccc(CCCc3ccc(/C=C/c4ccc(CCCc5ccc(/C=C/c6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 8/20 0.48
▸ S1PR2 O95136 7/20 0.48
▸ S1PR3 Q99500 7/20 0.48
▸ CYP24A1 Q07973 1/20 0.44
▸ S1PR4 O95977 4/20 0.44
▸ MMP2 P08253 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ AKT1 P31749 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39

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
SCHEMBL5323248 0.81 S1PR1 (0.49) S1PR1S1PR2S1PR3S1PR4SIGMAR1
SCHEMBL172466 0.81 S1PR1 (0.49) S1PR1S1PR2S1PR3S1PR4SIGMAR1
SCHEMBL30312758 0.79 HSD11B1 (0.49) HTR2APPARGPPARACYSLTR2CYSLTR1
SCHEMBL6546888 0.79 HSD11B1 (0.49) HTR2APPARGPPARACYSLTR2CYSLTR1
SCHEMBL7538660 0.79 HSD11B1 (0.49) HTR2APPARGPPARACYSLTR2CYSLTR1
SCHEMBL11659012 0.79 S1PR1 (0.53) S1PR1S1PR2S1PR3S1PR4HTR2A
SCHEMBL11134033 0.77 S1PR2 (0.51) S1PR1S1PR2S1PR3S1PR4SIGMAR1
SCHEMBL7539291 0.77 CYSLTR2 (0.53) HTR2ACYSLTR2CYSLTR1
SCHEMBL7539299 0.77 CYSLTR2 (0.53) HTR2ACYSLTR2CYSLTR1
SCHEMBL7537266 0.76 HTR2A (0.54) HTR2ACYSLTR2CYSLTR1

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-8436343-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2013-05-07 — — US disclosed
US-20110309337-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-12-22 — — US disclosed
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