SCHEMBL8464813

SCHEMBL8464813

O=Ic1c(CC(=O)O)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.43
RXRG P48443 10/20 0.43
RXRB P28702 9/20 0.43
AGBL2 Q5U5Z8 1/20 0.38
POLQ O75417 1/20 0.37
GPR17 Q13304 1/20 0.37
CES2 O00748 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
LMNA P02545 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL6096516 0.78 RXRA (0.52) RXRARXRGRXRBAGBL2POLQ
SCHEMBL8461706 0.76 CES2 (0.43) RXRARXRGRXRBGPR17CES2
SCHEMBL8462688 0.75 RXRA (0.43) RXRARXRGRXRBAGBL2POLQ
SCHEMBL5574328 0.73 CES2 (0.53) RXRARXRGRXRBAGBL2POLQ
SCHEMBL30716953 0.73 POLQ (0.61) RXRARXRGRXRBPOLQCES2
SCHEMBL3741058 0.73 POLQ (0.61) RXRARXRGRXRBPOLQCES2
SCHEMBL8460643 0.73 RXRA (0.44) RXRARXRGRXRBAGBL2POLQ
SCHEMBL8462700 0.71 TSHR (0.44) RXRARXRGRXRBAGBL2
SCHEMBL7584232 0.70 RXRA (0.39) RXRARXRGRXRBAGBL2POLQ
SCHEMBL8460438 0.69 CES2 (0.36) CES2

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