SCHEMBL12653577

SCHEMBL12653577

CCCCCCCCc1ccc(Nc2ccc(-c3ccc(Nc4ccc(-c5ccc6c(c5)CC6)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UNG P13051 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RARB P10826 8/20 0.45
▸ RARA P10276 2/20 0.45
▸ RARG P13631 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ DRD2 P14416 3/20 0.44
▸ DRD3 P35462 3/20 0.44
▸ HTR2A P28223 3/20 0.44
▸ HTR2C P28335 3/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL11962222 0.85 HSD17B10 (0.59) UNGHSD17B10TSHRRARBRARA
SCHEMBL13769488 0.83 RARB (0.56) UNGHSD17B10TSHRRARBRARA
SCHEMBL12795804 0.81 S1PR1 (0.37) UNGDRD2DRD3HTR2AHTR2C
SCHEMBL9330410 0.80 ESR1 (0.61) UNGHSD17B10ALDH1A1HTR2AHTR2C
SCHEMBL284616 0.80 ESR1 (0.61) UNGHSD17B10ALDH1A1HTR2AHTR2C
SCHEMBL9330419 0.80 ESR1 (0.61) UNGHSD17B10ALDH1A1HTR2AHTR2C
SCHEMBL60027 0.80 ESR1 (0.61) UNGHSD17B10ALDH1A1HTR2AHTR2C
SCHEMBL9502209 0.80 ESR1 (0.61) UNGHSD17B10ALDH1A1HTR2AHTR2C
SCHEMBL11699858 0.80 ESR1 (0.61) UNGHSD17B10ALDH1A1HTR2AHTR2C
SCHEMBL2391508 0.80 ESR1 (0.61) UNGHSD17B10ALDH1A1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272894-B1 POLYMER COMPOUND, RETICULATED POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEM CORP (JP) 2016-07-06 — — EP disclosed
US-8581241-B2 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) 2013-11-12 — — US disclosed
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
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