SCHEMBL8527137

SCHEMBL8527137

COc1ccc(OC)c2c1COC(C(C)=O)C2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.45
ADRA1A P35348 3/20 0.44
CYP1A2 P05177 1/20 0.40
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
ACHE P22303 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8529815 0.89 ADRA1A (0.46) MIFADRA1ACYP1A2MTNR1AMTNR1B
SCHEMBL8527470 0.87 CYP1A2 (0.47) MIFADRA1ACYP1A2MTNR1AMTNR1B
SCHEMBL8527142 0.86 MIF (0.46) MIFADRA1ACYP1A2MTNR1AMTNR1B
SCHEMBL8528366 0.84 ADRA1A (0.44) MIFADRA1ACYP1A2MTNR1AMTNR1B
SCHEMBL8531328 0.83 ADRA1A (0.41) MIFADRA1ACYP1A2MTNR1AMTNR1B
SCHEMBL8530162 0.83 ADRA1A (0.38) MIFADRA1ACYP1A2MTNR1AMTNR1B
SCHEMBL8527872 0.82 ADRA1A (0.40) MIFADRA1ACYP1A2MTNR1AMTNR1B
SCHEMBL8527222 0.81 ADRA1A (0.39) MIFADRA1ACYP1A2MTNR1AMTNR1B
SCHEMBL8901644 0.81 CTDSP1 (0.44) ADRA1ACYP1A2ALDH1A1KDM4EHSD17B10
SCHEMBL8530160 0.80 ADRA1A (0.38) MIFADRA1ACYP1A2MTNR1AMTNR1B

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
US-5736523-A ADMINISTERING TO THE MAMMAL SUFFERING FROM CANCER BIOCHEM PHARMA INC. (CA) 1998-04-07 US disclosed
US-5606037-A Processes antineoplastic heteronaphthoquinones BIOCHEM PHARMA INC. (CA) 1997-02-25 US disclosed
US-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US disclosed
EP-0659190-A1 ANTINEOPLASTIC HETERONAPHTHOQUINONES BIOCHEM PHARMA INC (CA) 1995-06-28 EP disclosed
WO-1994011382-A1 ANTINEOPLASTIC HETERONAPHTHOQUINONES BIOCHEM PHARMA INC. (CA) 1994-05-26 WO disclosed
WO-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 WO disclosed