SCHEMBL4387614

SCHEMBL4387614

CCCOC(N)Cc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53
SLC6A2 P23975 2/20 0.53
ESR1 P03372 4/20 0.46
ESR2 Q92731 3/20 0.46
SLC7A5 Q01650 1/20 0.44
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CHRM1 P11229 1/20 0.40
TSHR P16473 1/20 0.40
KDR P35968 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL4392230 0.85 TAAR1 (0.57) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL16389855 0.84 MAOA (0.39) ALDH1A1TSHRTDP1
SCHEMBL8897405 0.81 EPHX1 (0.54) TAAR1SLC6A2SLC7A5
SCHEMBL1839615 0.80 SLC6A2 (0.50) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL4394050 0.77 TAAR1 (0.61) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL11513417 0.76 TAAR1 (0.43) TAAR1SLC6A2SLC7A5
SCHEMBL8148589 0.76 TAAR1 (0.46) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL972278 0.75 SLC7A5 (0.57) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL972279 0.75 SLC7A5 (0.57) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL7630188 0.75 PPARA (0.56) SLC6A2ESR1SLC7A5ALDH1A1CHRM1

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