SCHEMBL8893539

SCHEMBL8893539

COc1cccc2c1C(OC)(OC)C=CC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.53
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
APAF1 O14727 1/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
IDO1 P14902 2/20 0.39
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
ACHE P22303 1/20 0.38
EGFR P00533 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL8894048 0.75 TXNRD1 (0.58) TOP1CA1CA2CA7CA9
SCHEMBL3673372 0.74 CDC25B (0.41) TOP1MAPTALDH1A1LMNAHTT
SCHEMBL30661369 0.71 PRMT1 (0.42) TOP1ALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL30003440 0.69 TOP1 (1.00) TOP1CA1CA2CA7CA9
SCHEMBL29018326 0.69 TOP1 (0.67) TOP1CA1CA2CA7CA9
SCHEMBL3414850 0.69 TOP1 (1.00) TOP1CA1CA2CA7CA9
SCHEMBL30882513 0.69 CA1 (0.44) TOP1CA1CA2CA7CA9
SCHEMBL17441737 0.66 HKDC1 (0.31) MAPTALDH1A1LMNAKDM4ETDP1
SCHEMBL5886287 0.63 TOP1 (0.58) TOP1CA1CA2CA7CA9
SCHEMBL3417492 0.62 EGFR (0.76) TOP1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594158-A Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1997-01-14 US claimed
US-5200513-A Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin BOARD OF REGENTS, UNIVERSITY OF NEBRASKA-LINCOLN (US) 1993-04-06 US claimed
EP-0523289-A1 Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin Board of Regents of the University of Nebraska (US) 1993-01-20 EP claimed
US-5594158-A Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1997-01-14 US disclosed
US-5200513-A Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin BOARD OF REGENTS, UNIVERSITY OF NEBRASKA-LINCOLN (US) 1993-04-06 US disclosed
US-5200513-A Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin BOARD OF REGENTS, UNIVERSITY OF NEBRASKA-LINCOLN (US) 1993-04-06 US disclosed
EP-0523289-A1 Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin Board of Regents of the University of Nebraska (US) 1993-01-20 EP disclosed
EP-0523289-A1 Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin Board of Regents of the University of Nebraska (US) 1993-01-20 EP disclosed