SCHEMBL10600272

SCHEMBL10600272

CCCOCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRCA1 P38398 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ NQO1 P15559 3/20 0.59
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MAOA P21397 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TTR P02766 1/20 0.48
▸ CYP1A1 P04798 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HSPD1 P10809 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ ALOX12 P18054 1/20 0.48

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
SCHEMBL10603434 0.93 BRCA1 (0.63) BRCA1SMN1; SMN2HIF1ANQO1MEN1
SCHEMBL10602001 0.93 BRCA1 (0.66) BRCA1SMN1; SMN2HIF1ANQO1MEN1
SCHEMBL10603002 0.91 BRCA1 (0.63) BRCA1SMN1; SMN2HIF1ANQO1MEN1
SCHEMBL10599950 0.88 BRCA1 (0.66) BRCA1SMN1; SMN2HIF1ANQO1MEN1
SCHEMBL10604111 0.87 BRCA1 (0.70) BRCA1SMN1; SMN2HIF1ANQO1MEN1
SCHEMBL10601833 0.86 BRCA1 (0.66) BRCA1SMN1; SMN2HIF1ANQO1MEN1
SCHEMBL10598308 0.85 SMN1; SMN2 (0.65) BRCA1SMN1; SMN2HIF1ANQO1MEN1
SCHEMBL10598125 0.85 SMN1; SMN2 (0.75) BRCA1SMN1; SMN2HIF1ANQO1MEN1
SCHEMBL10601840 0.84 SMN1; SMN2 (0.67) BRCA1SMN1; SMN2HIF1ANQO1MEN1
SCHEMBL10598278 0.84 BRCA1 (0.73) BRCA1SMN1; SMN2HIF1ANQO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0149125-A2 Tagging compounds and a method for detecting such compounds MORTON THIOKOL, INC. (US) 1985-07-24 — — EP claimed
EP-0147704-B1 A WATER IMMISCIBLE LIQUID COMPRISING A TAGGING COMPOUND AND METHOD FOR DETECTING SUCH TAGGING COMPOUND MORTON THIOKOL, INC. (US) 1989-04-19 — — EP disclosed
US-4764474-A Method for detecting a tagging compound MORTON THIOKOL, INC. (US) 1988-08-16 — — US disclosed
US-4735631-A Colored petroleum markers MORTON THIOKOL, INC. (US) 1988-04-05 — — US disclosed
EP-0149125-A2 Tagging compounds and a method for detecting such compounds MORTON THIOKOL, INC. (US) 1985-07-24 — — EP disclosed
EP-0147704-A2 A water immiscible liquid comprising a tagging compound and method for detecting such tagging compound MORTON THIOKOL, INC. (US) 1985-07-10 — — EP disclosed
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