SCHEMBL8551368

SCHEMBL8551368

C=C(CCCNC(=O)Nc1ccccc1-c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
ADRA2A P08913 2/20 0.50
DRD2 P14416 2/20 0.50
DRD1 P21728 2/20 0.50
DRD4 P21917 2/20 0.50
DRD5 P21918 2/20 0.50
HTR2A P28223 2/20 0.50
ADRA1A P35348 2/20 0.50
DRD3 P35462 2/20 0.50
GOT1 P17174 1/20 0.50
PPARG P37231 1/20 0.48
SOAT1 P35610 2/20 0.47
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL8550052 0.92 GOT1 (0.52) HTR1AADRA2ADRD2DRD1DRD4
SCHEMBL7097492 0.84 MARS1 (0.51) HDAC3HDAC1ITGB3ITGAVPOLB
SCHEMBL8547216 0.83 ITGB3 (0.66) MAPTITGB3ITGAVPOLBKMT2A
SCHEMBL14424463 0.81 POLB (0.67) HTR1AADRA2ADRD2DRD1DRD4
SCHEMBL8547552 0.81 EPHX1 (0.61) PPARGMAPTPOLBKMT2AHTT
SCHEMBL8549833 0.80 EPHX1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7098733 0.80 HDAC1 (0.52) HDAC3HDAC1HDAC2
SCHEMBL7093746 0.80 MARS1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6289117 0.80 GOT1 (0.59) HTR1AADRA2ADRD2DRD1DRD4
SCHEMBL14424464 0.80 SOAT1 (0.64) HTR1AADRA2ADRD2DRD1DRD4

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-5731127-A WEAR RESISTANCE, SOLVENT RESISTANCE DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-03-24 US disclosed
EP-0737896-A2 Photosensitive composition and photosensitive planographic printing plate DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-10-16 EP disclosed