SCHEMBL9819384

SCHEMBL9819384

CC(=O)OC[C@@H]1CC[C@H](n2cc(C)c(=O)[nH]c2=O)O1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.52
TK1 P04183 6/20 0.50
ABCG2 Q9UNQ0 3/20 0.48
ABCB1 P08183 1/20 0.48
ALB P02768 1/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL12969489 1.00 BCHE (0.52) BCHETK1ABCG2ABCB1ALB
SCHEMBL13948027 1.00 BCHE (0.52) BCHETK1ABCG2ABCB1ALB
SCHEMBL4194797 0.91 BCHE (0.55) BCHETK1ABCG2ABCB1ALB
SCHEMBL17804438 0.91 BCHE (0.55) BCHETK1ABCG2ABCB1ALB
SCHEMBL24548453 0.89 BCHE (0.52) BCHETK1ABCG2ABCB1
SCHEMBL4786342 0.89 TK1 (0.49) BCHETK1ABCG2ABCB1
SCHEMBL9355402 0.88 ABCG2 (0.52) BCHETK1ABCG2ABCB1
SCHEMBL26049446 0.88 ABCG2 (0.54) BCHETK1ABCG2ABCB1ALB
SCHEMBL13497253 0.87 BCHE (0.52) BCHETK1ABCG2ABCB1
SCHEMBL14094124 0.85 BCHE (0.49) BCHETK1ABCG2ABCB1ALB

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-5077279-A Treating AIDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1991-12-31 US disclosed