SCHEMBL4394050

SCHEMBL4394050

COC(N)Cc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.61
SLC6A2 P23975 1/20 0.61
SLC7A5 Q01650 1/20 0.50
ESR1 P03372 8/20 0.48
ESR2 Q92731 8/20 0.48
IDO1 P14902 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
ABAT P80404 1/20 0.43
SLC6A4 P31645 1/20 0.42

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
SCHEMBL16389766 0.81 SLC6A4 (0.44) TAAR1ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9260666 0.80 TAAR1 (0.56) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL4392230 0.80 TAAR1 (0.57) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL4392676 0.80 TAAR1 (0.62) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL1049431 0.79 SLC6A4 (0.68) TAAR1IDO1CYP1A2CYP2C19SLC6A4
SCHEMBL17518722 0.79 TAAR1 (0.55) TAAR1SLC6A2SLC7A5ESR1ESR2
Hydroquinone SCHEMBL11034419 0.78 ESR1 (0.46) TAAR1SLC6A2ESR1ESR2IDO1
SCHEMBL4950704 0.78 EPHX1 (0.62) TAAR1SLC6A2SLC7A5SLC6A4
SCHEMBL4950924 0.78 EPHX1 (0.62) TAAR1SLC6A2SLC7A5SLC6A4
SCHEMBL479459 0.78 EPHX1 (0.62) TAAR1SLC6A2SLC7A5SLC6A4

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-8227390-B2 Binder resin for friction material, binder resin composition for friction material, composite material for friction material containing the same, friction material and production method thereof AKEBONO BRAKE INDUSTRY CO., LTD. (JP) 2012-07-24 US disclosed
US-20090137434-A1 BINDER RESIN FOR FRICTION MATERIAL, BINDER RESIN COMPOSITION FOR FRICTION MATERIAL, COMPOSITE MATERIAL FOR FRICTION MATERIAL CONTAINING THE SAME, FRICTION MATERIAL AND PRODUCTION METHOD THEREOF AKEBONO BRAKE INDUSTRY CO., LTD (JP) 2009-05-28 US disclosed