SCHEMBL9380980

SCHEMBL9380980

Cc1c(F)ccc(O)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 2/20 0.39
PDE10A Q9Y233 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
GFER P55789 1/20 0.35
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
TRPA1 O75762 1/20 0.33

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
SCHEMBL14784289 0.83 ALDH1A1 (0.38) ALDH1A1HSD17B10ALOX15PDE10AGAA
SCHEMBL26927471 0.81 POLB (0.36) ALDH1A1TSHRDAOPOLB
SCHEMBL4815999 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10ALOX15PDE10AGAA
SCHEMBL30673309 0.81 POLB (0.36) ALDH1A1TSHRDAOPOLB
SCHEMBL19944381 0.79 TRPA1 (0.40) ALDH1A1HSD17B10GAACA3CA6
SCHEMBL29449508 0.79 TRPA1 (0.40) ALDH1A1HSD17B10GAACA3CA6
SCHEMBL118836 0.77 TSHR (0.46) ALDH1A1HSD17B10ALOX15PDE10AGAA
SCHEMBL5511605 0.77 CA3 (0.39) ALDH1A1HSD17B10ALOX15PDE10AGAA
SCHEMBL22133743 0.77 CA6 (0.39) ALDH1A1HSD17B10ALOX15CA3CA6
SCHEMBL1568810 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10ALOX15PDE10AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409484-B1 4,5,6,7-Tetrasubstituted benzoxazolones PFIZER (US) 1994-06-08 EP disclosed
US-5071863-A Antiallergens; antiinflammatory agents; enzyme inhibitors PFIZER INC. (US) 1991-12-10 US disclosed
EP-0409484-A2 4,5,6,7-Tetrasubstituted benzoxazolones PFIZER INC. (US) 1991-01-23 EP disclosed