SCHEMBL11607635

SCHEMBL11607635

c1ccc(Nc2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.71
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ ALDH1A1 P00352 7/20 0.54
▸ TSHR P16473 4/20 0.54
▸ TP53 P04637 3/20 0.54
▸ HIF1A Q16665 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MAPT P10636 4/20 0.53
▸ HPGD P15428 2/20 0.53
▸ PKM P14618 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ PTPN7 P35236 1/20 0.50
▸ PTPN12 Q05209 1/20 0.50
▸ GLA P06280 1/20 0.47
▸ FGFR1 P11362 1/20 0.46

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
SCHEMBL8262888 0.86 ALDH1A1 (0.68) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL1583161 0.84 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL1582872 0.84 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL17028904 0.84 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL31220 0.84 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1TSHR
Water SCHEMBL6248999 0.82 TDP1 (0.96) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL25731757 0.82 TDP1 (0.96) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL21178023 0.82 TDP1 (0.96) TDP1MEN1KMT2AALDH1A1TSHR
Methane SCHEMBL11454420 0.82 TDP1 (0.96) TDP1MEN1KMT2AALDH1A1TSHR
Iodide SCHEMBL9053819 0.82 TDP1 (0.96) TDP1MEN1KMT2AALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4077942-A Bis(4-anilinophenoxy) ester antioxidants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-03-07 — — US disclosed
US-4072654-A FOR DIENE-POLYMERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-02-07 — — US disclosed
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