SCHEMBL8460643

SCHEMBL8460643

O=Ic1ccc(C(F)(F)F)cc1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.44
RXRB P28702 5/20 0.44
RXRG P48443 5/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AGBL2 Q5U5Z8 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLQ O75417 1/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38

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
SCHEMBL892902 0.78 IDO1 (0.51) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL30120834 0.78 IDO1 (0.51) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL5574328 0.78 CES2 (0.53) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL7999435 0.78 RXRA (0.48) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL3827119 0.77 RXRA (0.47) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL30201250 0.77 ALDH1A1 (0.52) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL30120956 0.77 RXRA (0.57) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL1775542 0.77 ALDH1A1 (0.52) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL20575945 0.77 RXRA (0.57) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL3135089 0.76 RXRA (0.53) RXRARXRBRXRGPSEN1PSEN2

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-0745326-B1 Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1999-09-22 EP disclosed
US-5594017-A WITH AN IODOSYL OR IODYL COMPOUND ROHM AND HAAS COMPANY (US) 1997-01-14 US disclosed
EP-0745326-A1 Stabilization of aqueous 3-isothiazolone solutions ROHM AND HAAS COMPANY (US) 1996-12-04 EP disclosed