SCHEMBL22972830

SCHEMBL22972830

CCCCCCC(C)(c1ccccc1)C(C)(CCCC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
EBP Q15125 1/20 0.40
CNR2 P34972 4/20 0.40
CNR1 P21554 3/20 0.40
KIF11 P52732 1/20 0.39
GAA P10253 1/20 0.38
SCN5A Q14524 3/20 0.38
SCN9A Q15858 3/20 0.38
DNM1 Q05193 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1538360 0.98 SIGMAR1 (0.41) SIGMAR1EBPCNR2CNR1GAA
SCHEMBL1538299 0.96 SIGMAR1 (0.41) SIGMAR1EBPCNR2CNR1KIF11
SCHEMBL1538361 0.94 KIF11 (0.41) SIGMAR1KIF11TAAR1ESR1ESR2
SCHEMBL28534261 0.86 LMNA (0.40) SIGMAR1EBPCNR2CNR1KIF11
SCHEMBL15524994 0.85 CNR2 (0.38) SIGMAR1EBPCNR2CNR1GAA
SCHEMBL1538329 0.85 HDAC3 (0.35) SIGMAR1EBPCNR2CNR1KIF11
SCHEMBL3092364 0.84 CYP2C19 (0.42) SIGMAR1EBPCNR2CNR1KIF11
Bromide SCHEMBL28714023 0.84 SIGMAR1 (0.39) SIGMAR1EBPCNR2CNR1GAA
SCHEMBL1059924 0.83 TAAR1 (0.46) KIF11TAAR1KMT2AESR1ESR2
SCHEMBL8099732 0.82 SIGMAR1 (0.41) SIGMAR1EBPCNR2CNR1GAA

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-3356589-B1 MELT-BLOWN WEBS WITH IMPROVED PROPERTIES BOREALIS AG (AT) 2021-02-17 EP claimed