SCHEMBL8464638

SCHEMBL8464638

CCCCCCCCCC/C=C/CCCCCCc1cc(C(=O)O)c(I(=O)=O)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.49
F3 P13726 6/20 0.49
ALOX15 P16050 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MMP2 P08253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
ECE1 P42892 1/20 0.49
SGMS1 Q86VZ5 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49
MUS81 Q96NY9 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
BID P55957 3/20 0.46
BCL2L1 Q07817 3/20 0.46
MCL1 Q07820 3/20 0.46
BAK1 Q16611 3/20 0.46
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 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
SCHEMBL8464639 1.00 F7 (0.49) F7F3ALOX15HSD17B10MMP2
SCHEMBL8463573 0.92 KAT8 (0.46) SAE1BIDBCL2L1MCL1BAK1
SCHEMBL8464839 0.82 F7 (0.53) F7F3ALOX15HSD17B10MMP2
SCHEMBL8464842 0.82 F7 (0.53) F7F3ALOX15HSD17B10MMP2
SCHEMBL8460575 0.81 KAT8 (0.58) F7F3ALOX15HSD17B10MMP2
SCHEMBL8460579 0.81 KAT8 (0.58) F7F3ALOX15HSD17B10MMP2
SCHEMBL11800974 0.80 KAT8 (0.56) SAE1BIDBCL2L1MCL1BAK1
SCHEMBL8463357 0.80 F7 (0.49) F7F3ALOX15HSD17B10MMP2
SCHEMBL8463353 0.80 F7 (0.49) F7F3ALOX15HSD17B10MMP2
SCHEMBL9700182 0.77 KAT8 (0.53) SAE1BIDBCL2L1MCL1BAK1

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