SCHEMBL8462433

SCHEMBL8462433

COc1cc(C(=O)O)c(I(=O)=O)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CDC25B P30305 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ POLB P06746 4/20 0.44
▸ AKR1C3 P42330 4/20 0.42
▸ AKR1C2 P52895 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RXRA P19793 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ LCK P06239 1/20 0.40

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
SCHEMBL2565865 0.89 SMN1; SMN2 (0.42) SMN1; SMN2CDC25BKDM4EPOLBAKR1C3
SCHEMBL28493002 0.77 SMN1; SMN2 (0.52) SMN1; SMN2CDC25BKDM4EPOLBAKR1C3
SCHEMBL15440287 0.77 SMN1; SMN2 (0.52) SMN1; SMN2CDC25BKDM4EPOLBAKR1C3
SCHEMBL8463268 0.77 KDM4E (0.50) KDM4EALDH1A1RXRALCKTDP1
SCHEMBL31355236 0.77 SMN1; SMN2 (0.52) SMN1; SMN2CDC25BKDM4EPOLBAKR1C3
SCHEMBL8464799 0.76 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL15989607 0.75 LCK (0.52) SMN1; SMN2CDC25BKDM4EPOLBAKR1C3
SCHEMBL664622 0.75 SMN1; SMN2 (0.50) SMN1; SMN2CDC25BKDM4EPOLBAKR1C3
SCHEMBL8462552 0.74 CA12 (0.55) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL8460400 0.74 CA1 (0.46) SMN1; SMN2CDC25BKDM4EPOLBALDH1A1

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
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