SCHEMBL7545271

SCHEMBL7545271

Fc1ccc(CCI)cc1.[Zn]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAOB P27338 2/20 0.48
IDO1 P14902 3/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
AOC3 Q16853 2/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
AGXT P21549 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
AOC2 O75106 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL755085 0.97 TAAR1 (0.59) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL5785 0.90 MAOB (0.61) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL386493 0.84 TAAR1 (0.52) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL9047472 0.82 TAAR1 (0.50) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL7437052 0.82 TAAR1 (0.68) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL10685072 0.82 ALDH1A1 (0.69) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL8588226 0.80 TAAR1 (0.48) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL9335133 0.80 TAAR1 (0.48) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL696776 0.78 TAAR1 (0.56) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL23461 0.77

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-6482990-B1 Prostaglandin E analogues TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-11-19 US disclosed
EP-1211241-A1 PROSTAGLANDIN E ANALOGUES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-06-05 EP disclosed