SCHEMBL8749849

SCHEMBL8749849

O=C1CCCCC(C2CO2)O1.O=C1CCCCCO1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA9 Q16790 1/20 0.53
FKBP4 Q02790 3/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL17866480 0.88 CA1 (0.37) CA1CA9TSHRCYP2D6
SCHEMBL3389129 0.88 CA1 (0.37) CA1CA9TSHRCYP2D6
SCHEMBL14584221 0.80 CA1 (0.64) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL28756510 0.80 CA1 (0.64) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL14584224 0.80 CA1 (0.64) CA1CA9FKBP4ALDH1A1LMNA
Oxirane SCHEMBL7789725 0.80 CA1 (0.53) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL2127362 0.80 CA1 (0.42) CA1CA9ALDH1A1LMNATP53
SCHEMBL4353566 0.80 CA1 (0.42) CA1CA9ALDH1A1LMNATP53
SCHEMBL4938203 0.78 CA1 (0.32) CA1CA9
SCHEMBL7808875 0.78 CA1 (0.41) CA1CA9LMNATSHRCYP2D6

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
EP-0463400-B1 Transparencies XEROX CORP (US) 1997-04-02 EP disclosed
EP-0463400-A1 Transparencies XEROX CORPORATION (US) 1992-01-02 EP disclosed