SCHEMBL8464513

SCHEMBL8464513

Cc1cc(C)c(I(=O)=O)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.55
▸ CSNK2A1 P68400 1/20 0.42
▸ METAP2 P50579 1/20 0.41
▸ TPMT P51580 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ NOTUM Q6P988 2/20 0.38
▸ MYC P01106 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RCE1 Q9Y256 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
SCHEMBL8463268 0.90 KDM4E (0.50) KDM4ECSNK2A1METAP2TPMTALDH1A1
SCHEMBL8464696 0.82 TPMT (0.43) KDM4ETPMTALDH1A1NOTUMMYC
SCHEMBL2565865 0.78 SMN1; SMN2 (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL8463923 0.77 KDM4E (0.36) KDM4EMETAP2ALDH1A1GAALMNA
SCHEMBL11770168 0.74 KDM4E (0.63) KDM4ECSNK2A1METAP2TPMTALDH1A1
SCHEMBL1259082 0.74 KDM4E (0.63) KDM4ECSNK2A1METAP2TPMTALDH1A1
SCHEMBL8460219 0.73 KDM4E (0.38) KDM4EALDH1A1NOTUMGAALMNA
SCHEMBL8464329 0.73 CYP3A4 (0.40) KDM4EALDH1A1NOTUMGAALMNA
SCHEMBL8461351 0.73 KDM4E (0.39) KDM4EALDH1A1NOTUMGAALMNA
SCHEMBL6915536 0.72 KDM4E (0.61) KDM4ECSNK2A1METAP2TPMTALDH1A1

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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