SCHEMBL8893350

SCHEMBL8893350

C#C[C@@]1(O)CC(C(=O)OC)=C[C@H](O)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CHRM3 P20309 1/20 0.30

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
SCHEMBL8892718 1.00 KDM4E (0.31) KDM4EMAPTCHRM3
SCHEMBL8892714 1.00 KDM4E (0.31) KDM4EMAPTCHRM3
SCHEMBL9567179 0.81 GABRR1 (0.30)
SCHEMBL8895398 0.81 GABRR1 (0.30)
SCHEMBL9567266 0.81 GABRR1 (0.30)
SCHEMBL8891998 0.81
SCHEMBL8892007 0.81
SCHEMBL13677468 0.65 CHRM3 (0.38) CHRM3
SCHEMBL4593737 0.65 CHRM3 (0.38) CHRM3
SCHEMBL26090627 0.63 ALDH1A1 (0.42)

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
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
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