SCHEMBL20959904

SCHEMBL20959904

CC#CC(C)(C)Oc1ccc(C2(c3ccc(OC(C)(C)C)cc3)CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.49
▸ SLC6A3 Q01959 5/20 0.49
▸ SLC6A2 P23975 2/20 0.49
▸ ADORA3 P0DMS8 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ESR1 P03372 4/20 0.38
▸ ESR2 Q92731 4/20 0.38
▸ PSMB1 P20618 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PSMB2 P49721 1/20 0.37
▸ MMP13 P45452 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 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
SCHEMBL20967821 0.89 ESR1 (0.54) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1
SCHEMBL15869211 0.86 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1
SCHEMBL15869212 0.84 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1
SCHEMBL12204977 0.79 ESR1 (0.65) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1
SCHEMBL21953155 0.78 ESR1 (0.54) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1
SCHEMBL19872008 0.73 ADORA3 (0.60) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1
SCHEMBL12101644 0.73 ADORA3 (0.56) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1
SCHEMBL19200571 0.72 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1
SCHEMBL21785623 0.71 ADORA3 (0.54) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1
SCHEMBL19431650 0.71 ADORA3 (0.65) SLC6A4SLC6A3SLC6A2ADORA3ALDH1A1

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
EP-3477394-B1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC (JP) 2020-09-09 — — EP disclosed
WO-2020084900-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY 京セラドキュメントソリューションズ株式会社 2020-04-30 — — WO disclosed
EP-3477394-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA Document Solutions Inc. (JP) 2019-05-01 — — EP disclosed
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