SCHEMBL10604104

SCHEMBL10604104

CC(C)Nc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ MAOA P21397 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ BRCA1 P38398 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ ALOX12 P18054 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ RECQL P46063 2/20 0.60
▸ DAPK1 P53355 2/20 0.60
▸ CYP1B1 Q16678 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ TTR P02766 1/20 0.60
▸ CYP1A1 P04798 1/20 0.60
▸ HSPD1 P10809 1/20 0.60

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
SCHEMBL10602170 0.85 BRCA1 (0.55) MEN1KMT2AMAPTMAOAHPGD
SCHEMBL10601842 0.85 MAPT (0.54) MEN1KMT2AMAPTMAOAHPGD
SCHEMBL10598362 0.84 MAPT (0.64) MEN1KMT2AMAPTMAOAHPGD
SCHEMBL10603010 0.82 BRCA1 (0.52) MEN1KMT2AMAPTMAOAHPGD
SCHEMBL16140780 0.81 MEN1 (0.63) MEN1KMT2AMAPTMAOAHPGD
SCHEMBL10600280 0.80 BRCA1 (0.50) MEN1KMT2AMAPTMAOAHPGD
SCHEMBL10600892 0.80 SMN1; SMN2 (0.66) MEN1KMT2AMAPTMAOAHPGD
SCHEMBL10600123 0.80 MAPT (0.58) MEN1KMT2AMAPTMAOAHPGD
SCHEMBL10597738 0.79 BRCA1 (0.52) MEN1KMT2AMAPTMAOAHPGD
SCHEMBL10601844 0.78 BRCA1 (0.51) MEN1KMT2AMAPTMAOAHPGD

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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