SCHEMBL20967821

SCHEMBL20967821

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.54
▸ ESR2 Q92731 4/20 0.54
▸ ADORA3 P0DMS8 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SLC6A4 P31645 5/20 0.38
▸ SLC6A3 Q01959 4/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PSMB1 P20618 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ PSMB2 P49721 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL21953155 0.89 ESR1 (0.54) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL20959904 0.89 SLC6A4 (0.49) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL12204977 0.83 ESR1 (0.65) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL20671282 0.78 ADORA3 (0.61) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL12205413 0.78 ADORA3 (0.61) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL22244363 0.78 ADORA3 (0.61) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL21085480 0.77 ESR1 (0.77) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL8760127 0.75 ESR2 (0.71) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL15869211 0.74 SLC6A4 (0.61) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL21216068 0.74 ESR1 (0.45) ESR1ESR2ALDH1A1KDM4EMEN1

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-10359714-B2 Electrophotographic photosensitive member KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2019-07-23 — — US disclosed
US-20190129321-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2019-05-02 — — US disclosed
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