SCHEMBL19200571

SCHEMBL19200571

CC(C)(C)Oc1ccc(C2(c3ccc(Oc4ccc(-c5ccc(C(C)(C)C)cc5)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 4/20 0.47
▸ SLC6A3 Q01959 4/20 0.47
▸ SLC6A2 P23975 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD11B1 P28845 3/20 0.39
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PSMB1 P20618 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ PSMB2 P49721 1/20 0.35
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BCHE P06276 1/20 0.33

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
SCHEMBL15869211 0.84 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1
SCHEMBL15869212 0.82 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1
SCHEMBL22883647 0.82 RAB9A (0.57) ALDH1A1NPC1MAPTRAB9AHPGD
SCHEMBL10249583 0.78 ADORA3 (0.49) SLC6A2ADORA3ALDH1A1NPC1MAPT
SCHEMBL20468036 0.78 RAB9A (0.52) ALDH1A1NPC1MAPTRAB9AHPGD
SCHEMBL21782373 0.77 RAB9A (0.63) ALDH1A1NPC1MAPTRAB9AHPGD
SCHEMBL16281935 0.77 KIF11 (0.50) ALDH1A1NPC1MAPTRAB9AHPGD
SCHEMBL16281925 0.77 RAB9A (0.63) ALDH1A1NPC1MAPTRAB9AHPGD
SCHEMBL12204977 0.77 ESR1 (0.65) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1
SCHEMBL12841530 0.76 ADORA3 (0.47) SLC6A4SLC6A3SLC6A2ADORA3NPC1

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-10026983-B2 Polymer electrolyte material, polymer electrolyte molded product using the polymer electrolyte material and method for manufacturing the polymer electrolyte molded product, membrane electrode composite, and solid polymer fuel cell TORAY INDUSTRIES, INC. (JP) 2018-07-17 — — US disclosed
US-20170222243-A1 POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE MOLDED PRODUCT USING THE POLYMER ELECTROLYTE MATERIAL AND METHOD FOR MANUFACTURING THE POLYMER ELECTROLYTE MOLDED PRODUCT, MEMBRANE ELECTRODE COMPOSITE, AND SOLID POLYMER FUEL CELL TORAY INDUSTRIES, INC. 2017-08-03 — — US disclosed
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