SCHEMBL21087901

SCHEMBL21087901

C=C(CO)C(=O)OCC(CCCCC1CCC(C2CCC(CCCCC)CC2)CC1)COC(=O)C(=C)COC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.30
PKM P14618 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL21087892 0.96 MAPT (0.32) MAPTTP53PKM
SCHEMBL21087925 0.96 MAPT (0.32) MAPTTP53PKM
SCHEMBL21088005 0.95 MAPT (0.31) MAPTTP53
SCHEMBL21087898 0.95 TP53 (0.32) MAPTTP53
SCHEMBL21087963 0.95 MAPT (0.36) MAPTTP53TSHRPKM
SCHEMBL21087972 0.93 MAPT (0.33) MAPTTP53PKM
SCHEMBL21088105 0.92 MAPT (0.33) MAPTTP53PKM
SCHEMBL21087893 0.91 TSHR (0.30) TSHR
SCHEMBL21088004 0.91
SCHEMBL19855029 0.89 MAPT (0.33) MAPTTP53PKM

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-3495450-B1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2020-08-05 EP disclosed
EP-3495450-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2019-06-12 EP disclosed