SCHEMBL8901716

SCHEMBL8901716

COC(=O)C1CC2=C(CO1)C(=O)C=CC2=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.35
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
BRD4 O60885 1/20 0.33
KMT2A Q03164 1/20 0.31
PDK1 Q15118 1/20 0.31

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
SCHEMBL27354248 0.83 SMN1; SMN2 (0.34)
SCHEMBL8531831 0.81 NLRP3 (0.31)
SCHEMBL8900992 0.81
SCHEMBL8901566 0.76
SCHEMBL21847497 0.75 BRD4 (0.38) MIFALDH1A1HTTBRD4KMT2A
SCHEMBL8901724 0.74 MIF (0.33) MIFALDH1A1HTTBRD4
SCHEMBL8913965 0.74 MIF (0.33) MIFALDH1A1HTTBRD4
SCHEMBL8900793 0.69 AKT1 (0.34) MIF
SCHEMBL20939850 0.69 HDAC3 (0.43) MIFALDH1A1KMT2A
SCHEMBL10982547 0.69 BRD4 (0.40) ALDH1A1BRD4KMT2A

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-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US disclosed
EP-0533744-A1 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1993-03-31 EP disclosed
WO-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 WO disclosed