SCHEMBL30104028

SCHEMBL30104028

O=C1OCCCCOC(=O)C23CCC1(CC2)CC3

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL9339692 0.95 CA1 (0.39) CA1CA9
SCHEMBL7112607 0.92 CA1 (0.40) CA1CA9ALDH1A1LMNATP53
SCHEMBL22833704 0.92
SCHEMBL1747628 0.90 CA1 (0.39) CA1CA9
SCHEMBL8603859 0.86
SCHEMBL17611843 0.84 CA1 (0.33) CA1CA9
SCHEMBL19745505 0.81
SCHEMBL11055887 0.81 IDO1 (0.33) ALDH1A1LMNATP53TSHRIDO1
SCHEMBL16099791 0.80 POLB (0.31)
SCHEMBL107033 0.79 IDO1 (0.32) LMNAIDO1

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
EP-3894461-B1 POLYESTERS WITH SPECIFIED CRYSTALLIZATION HALF-TIMES EASTMAN CHEM CO (US) 2022-09-28 EP disclosed