SCHEMBL8463268

SCHEMBL8463268

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ CSNK2A1 P68400 1/20 0.47
▸ TPMT P51580 1/20 0.44
▸ MYC P01106 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ NOTUM Q6P988 4/20 0.39
▸ HCAR1 Q9BXC0 1/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ LCK P06239 1/20 0.36

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
SCHEMBL8464513 0.90 KDM4E (0.55) KDM4ECSNK2A1TPMTMYCTTR
SCHEMBL8460400 0.79 CA1 (0.46) KDM4EMYCHCAR1ALDH1A1KMT2A
SCHEMBL8464742 0.78 AKR1C3 (0.42) —
SCHEMBL8464012 0.77 AKR1C3 (0.52) KDM4EMYCKMT2AMEN1GPR35
SCHEMBL8461449 0.77 AKR1C4 (0.52) KDM4ETPMTMYCNOTUMHCAR1
SCHEMBL8460863 0.77 PTPRC (0.39) KDM4ETPMTALDH1A1KMT2AMEN1
SCHEMBL8462420 0.77 KEAP1 (0.45) KDM4ETTRNOTUMHCAR1ALDH1A1
SCHEMBL8462433 0.77 SMN1; SMN2 (0.47) KDM4EALDH1A1KMT2ARXRAMEN1
SCHEMBL3392534 0.75 KDM4E (0.58) KDM4ECSNK2A1TPMTMYCTTR
SCHEMBL8464696 0.75 TPMT (0.43) KDM4ETPMTMYCTTRNOTUM

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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