SCHEMBL8901795

SCHEMBL8901795

COC(=O)C1Cc2c(OC)ccc(OC)c2C(O)O1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.43
ADRA1A P35348 2/20 0.40
HTT P42858 1/20 0.39
MTNR1A P48039 9/20 0.38
MTNR1B P49286 9/20 0.38
ACHE P22303 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL8528137 0.87 MIF (0.42) MIFADRA1AMTNR1AMTNR1BACHE
SCHEMBL8903352 0.84 MIF (0.42) MIFADRA1AHTTMTNR1AMTNR1B
SCHEMBL8528110 0.80 MIF (0.39) MIFADRA1AHTTMTNR1AMTNR1B
SCHEMBL8531354 0.79 HTR1A (0.41) MIFADRA1AHTTMTNR1AMTNR1B
SCHEMBL8902583 0.77 ADRA1A (0.45) ADRA1AACHE
SCHEMBL8527142 0.75 MIF (0.46) MIFADRA1AHTTMTNR1AMTNR1B
SCHEMBL8527073 0.74 ADRA1A (0.42) ADRA1AMTNR1AMTNR1BACHECYP1A2
SCHEMBL8531892 0.72 ADRA1A (0.41) ADRA1AMTNR1AMTNR1BACHE
SCHEMBL8903292 0.72 ADRA1A (0.41) MIFADRA1AHTTMTNR1AMTNR1B
SCHEMBL9522182 0.71 MIF (0.41) MIFADRA1AMTNR1AMTNR1BACHE

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