SCHEMBL8901958

SCHEMBL8901958

C=CC1Cc2c(OC)ccc(OC)c2C(OC)O1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.41
HTR1A P08908 10/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL8529148 0.74 ADRA1A (0.39) ADRA1AACHE
SCHEMBL8903651 0.72 ADRA1A (0.40) ADRA1AHTR1AACHE
SCHEMBL9755768 0.72 ADRA1A (0.40) ADRA1AACHE
SCHEMBL9522182 0.72 MIF (0.41) ADRA1AACHE
SCHEMBL8903352 0.71 MIF (0.42) ADRA1AACHE
SCHEMBL8902750 0.70 ADRA1A (0.38) ADRA1AHTR1A
SCHEMBL8901741 0.69 ADRA1A (0.37) ADRA1A
SCHEMBL8903209 0.68 POLL (0.52) ADRA1AACHE
SCHEMBL13479460 0.64 ADRA1A (0.55) ADRA1AACHE
SCHEMBL8531354 0.64 HTR1A (0.41) ADRA1AHTR1A

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 1 patent. 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