SCHEMBL10924809

SCHEMBL10924809

CCCCCCCCCCOC(=O)OC1=C(C)NC(C)=C(OC(=O)OCC)C1c1ccccc1OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL10516023 0.88 CACNA1C (0.43) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10514946 0.88 CACNA1C (0.43) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10586655 0.88 CACNA1C (0.43) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10515283 0.88 CACNA1C (0.43) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10924777 0.88 LMNA (0.46) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10923855 0.86 CACNA1C (0.46) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL11117424 0.85 NR1I2 (0.42) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL10902136 0.84 LMNA (0.54) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10921863 0.83 LMNA (0.48) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10786988 0.81 NR1I2 (0.49) LMNACACNA1FCACNA1DCACNA1SCACNA1C

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-0088276-B1 COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS BAYER AG (DE) 1986-04-30 EP disclosed
EP-0088276-A1 Compounds, process for their preparation and their use as pharmaceutical preparations BAYER AG (DE) 1983-09-14 EP disclosed