SCHEMBL9617029

SCHEMBL9617029

C/C1=C(\C)C(=O)OCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
PGR P06401 2/20 0.36
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
CLK1 P49759 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL7737903 0.75
SCHEMBL31492941 0.72 CA1 (0.50) CA1CA9PGRALDH1A1LMNA
SCHEMBL3093303 0.72 CA1 (0.50) CA1CA9PGRALDH1A1LMNA
SCHEMBL28886215 0.72 CA1 (0.50) CA1CA9PGRALDH1A1LMNA
SCHEMBL9788227 0.72 CA1 (0.50) CA1CA9PGRALDH1A1LMNA
SCHEMBL17672300 0.72 CA1 (0.50) CA1CA9PGRALDH1A1LMNA
SCHEMBL493682 0.72 CA1 (0.50) CA1CA9PGRALDH1A1LMNA
SCHEMBL4302406 0.72 CA1 (0.50) CA1CA9PGRALDH1A1LMNA
SCHEMBL28379193 0.72 CA1 (0.50) CA1CA9PGRALDH1A1LMNA
SCHEMBL31510310 0.72 CA1 (0.52) CA1CA9PGRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4208276-A None JP disclosed
JP-H04208276-A ATTRACTANT FOR CIVATTE MOTH JAPAN TOBACCO INC 1992-07-29 JP disclosed