SCHEMBL8464845

SCHEMBL8464845

CCCCCCCCCCCCCCCCCCOc1cc(C(=O)O)cc(C(=O)O)c1I(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.55
▸ PTPN11 Q06124 5/20 0.54
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ S1PR3 Q99500 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PLA2G4B P0C869 1/20 0.47
▸ PTPN1 P18031 1/20 0.45
▸ PTPN6 P29350 1/20 0.45
▸ PLA2G2D Q9UNK4 1/20 0.45
▸ RARB P10826 2/20 0.45

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
SCHEMBL8464438 0.80 LMNA (0.56) PTPN11ALDH1A1S1PR3TSHRPTPN1
SCHEMBL9067305 0.79 PTPN11 (0.68) PLA2G2APTPN11ALDH1A1HPGDTP53
SCHEMBL27494596 0.79 PTPN11 (0.68) PLA2G2APTPN11ALDH1A1HPGDTP53
SCHEMBL8460897 0.78 PLA2G2A (0.55) PLA2G2APTPN11ALDH1A1HPGDS1PR3
SCHEMBL1200763 0.78 PLA2G2A (0.66) PLA2G2APTPN11ALDH1A1HPGDTP53
SCHEMBL6023328 0.78 PLA2G2A (0.66) PLA2G2APTPN11ALDH1A1HPGDTP53
SCHEMBL1108059 0.78 PLA2G2A (0.66) PLA2G2APTPN11ALDH1A1HPGDTP53
SCHEMBL318045 0.78 PLA2G2A (0.66) PLA2G2APTPN11ALDH1A1HPGDTP53
SCHEMBL1200906 0.78 PLA2G2A (0.66) PLA2G2APTPN11ALDH1A1HPGDTP53
SCHEMBL1201538 0.78 PLA2G2A (0.66) PLA2G2APTPN11ALDH1A1HPGDTP53

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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