SCHEMBL8462789

SCHEMBL8462789

CC(=O)NC(=O)c1c(Cl)c(Cl)cc(Cl)c1I(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.35
▸ EPHX1 P07099 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL8459525 0.75 DPP4 (0.36) HSPA5ALDH1A1HPGD
SCHEMBL8460783 0.74 HSPA5 (0.35) HSPA5EPHX1ALDH1A1LMNAHPGD
SCHEMBL8460365 0.74 SMN1; SMN2 (0.36) EPHX1ALDH1A1LMNAHPGD
SCHEMBL8460290 0.69 — —
SCHEMBL11755812 0.68 CES2 (0.39) EPHX1ALDH1A1LMNAHPGD
SCHEMBL8463383 0.67 — —
Phosphoric Acid SCHEMBL8462249 0.63 HPGD (0.48) HSPA5ALDH1A1LMNAHPGD
SCHEMBL11751169 0.62 TSHR (0.36) HSPA5EPHX1ALDH1A1LMNAHPGD
SCHEMBL8463923 0.62 KDM4E (0.36) ALDH1A1LMNA
SCHEMBL8463450 0.62 CYP3A4 (0.39) ALDH1A1LMNAHPGD

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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