SCHEMBL8903142

SCHEMBL8903142

CC1CC2=C(C(=O)C=CC2=O)C(O)O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
TCF4 P15884 1/20 0.32
CTNNB1 P35222 1/20 0.32
MAOA P21397 4/20 0.31
MAOB P27338 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8900585 0.78
SCHEMBL8528056 0.78 MAOA (0.33) MAOA
SCHEMBL8527887 0.77
SCHEMBL8527892 0.76
SCHEMBL8532252 0.75
SCHEMBL9521432 0.72
SCHEMBL8901681 0.67
SCHEMBL8531428 0.67
SCHEMBL9520793 0.64
SCHEMBL10524825 0.63 MAOA (0.33) MAOAMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533744-A1 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1993-03-31 EP claimed
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