SCHEMBL8614478

SCHEMBL8614478

O=C(O)CCc1cccc(CCI)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.67
FFAR1 O14842 11/20 0.62
PTPRB P23467 1/20 0.57
CDC25A P30304 1/20 0.57
CDC25B P30305 1/20 0.57
PTEN P60484 1/20 0.57
PTPMT1 Q8WUK0 1/20 0.57
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL70271 0.90 KEAP1 (0.74) KEAP1FFAR1PTPRBCDC25ACDC25B
SCHEMBL11981977 0.89 KEAP1 (0.61) KEAP1FFAR1PTPRBCDC25ACDC25B
SCHEMBL8435278 0.88 FFAR1 (0.80) KEAP1FFAR1PTPRBCDC25ACDC25B
Hydrochloric Acid SCHEMBL10982620 0.88 KEAP1 (0.71) KEAP1FFAR1PTPRBCDC25ACDC25B
SCHEMBL9051375 0.82 FFAR1 (0.64) KEAP1FFAR1PTPRBCDC25ACDC25B
SCHEMBL30638471 0.82 KEAP1 (0.63) KEAP1FFAR1PTPRBCDC25ACDC25B
SCHEMBL4407150 0.82 KEAP1 (0.63) KEAP1FFAR1PTPRBCDC25ACDC25B
Phenyl Propionic Acid SCHEMBL6660445 0.81 KEAP1 (0.68) KEAP1FFAR1PTPRBCDC25ACDC25B
Phenyl Propionic Acid SCHEMBL13618844 0.81 KEAP1 (1.00) KEAP1FFAR1ALDH1A1HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL3419 0.81 KEAP1 (1.00) KEAP1FFAR1ALDH1A1HDAC3MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5736285-A PHOTOSENSITIVE LAYER CONTAINS CHARGE TRANSPORTING POLYESTER AND ATLEAST ONE BISAZO PIGMENT; WEAR RESISTANCE AND ELECTRIC STABILITY FUJI XEROX CO., LTD. (JP) 1998-04-07 US disclosed