SCHEMBL21299992

SCHEMBL21299992

C=C(C)C(=O)OC(C)(CC)CCCCCC(=O)OC(C)(CC)CC1CCCO1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
ALDH1A1 P00352 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL12646270 0.79 TSHR (0.43) LMNAALDH1A1
SCHEMBL16329422 0.75 LMNA (0.41) LMNAPOLBHPGDALDH1A1
SCHEMBL12835649 0.74 LMNA (0.34) LMNAPOLBALDH1A1
SCHEMBL28048427 0.72 ALDH1A1 (0.37) LMNAPOLBTP53HPGDALOX12
SCHEMBL17511703 0.70 ALDH1A1 (0.38) LMNAPOLBHPGDALOX12ALDH1A1
SCHEMBL31115184 0.70 TSHR (0.50)
Bromide SCHEMBL19582740 0.69 TSHR (0.49)
Bromide SCHEMBL19582721 0.69 TSHR (0.49)
SCHEMBL25561401 0.69 TSHR (0.47) ALDH1A1
SCHEMBL9768639 0.68 LMNA (0.50) LMNAALDH1A1

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-3101072-B1 INKJET INK COMPOSITION FOR PRINTING ON BUILDING MATERIALS, INKJET INK SET FOR PRINTING ON BUILDING MATERIALS, INKJET RECORDING METHOD, AND DECORATIVE BUILDING MATERIALS FUJIFILM CORP (JP) 2019-08-28 EP disclosed