SCHEMBL1875219

SCHEMBL1875219

[CH]=C1CCCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ MAOB P27338 1/20 0.56
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CES1 P23141 1/20 0.44
▸ NOS3 P29474 2/20 0.44
▸ DRD4 P21917 1/20 0.43
▸ CYP19A1 P11511 5/20 0.42
▸ CYP11B1 P15538 5/20 0.42
▸ CYP11B2 P19099 5/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ G6PC1 P35575 1/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL4198198 0.85 CES1 (0.54) CYP2A6MAOAMAOBTSHRL3MBTL1
SCHEMBL3103992 0.82 CYP2A6 (0.68) CYP2A6MAOAMAOBTSHRL3MBTL1
SCHEMBL30505637 0.82 CYP2A6 (0.68) CYP2A6MAOAMAOBTSHRL3MBTL1
SCHEMBL9652088 0.79 CYP2A6 (0.65) CYP2A6MAOAMAOBTSHRL3MBTL1
SCHEMBL30436320 0.79 CYP2A6 (0.65) CYP2A6MAOAMAOBTSHRL3MBTL1
SCHEMBL568779 0.76 TSHR (0.71) CYP2A6MAOAMAOBTSHRL3MBTL1
SCHEMBL31430380 0.76 TSHR (0.71) CYP2A6MAOAMAOBTSHRL3MBTL1
SCHEMBL31621255 0.74 TSHR (0.67) CYP2A6MAOAMAOBTSHRL3MBTL1
SCHEMBL31135519 0.74 TSHR (0.67) CYP2A6MAOAMAOBTSHRL3MBTL1
SCHEMBL30436120 0.74 TSHR (0.67) CYP2A6MAOAMAOBTSHRL3MBTL1

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-20110104600-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND IMAGE FORMING APPARATUS USING THE SAME SHARP KABUSHIKI KAISHA (JP) 2011-05-05 — — US claimed
US-20110104600-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND IMAGE FORMING APPARATUS USING THE SAME SHARP KABUSHIKI KAISHA (JP) 2011-05-05 — — US disclosed
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