SCHEMBL7770765

SCHEMBL7770765

CCC(CC)NCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
CNR1 P21554 1/20 0.46
ADRA1A P35348 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ABCC3 O15438 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ANPEP P15144 2/20 0.32
RNPEP Q9H4A4 2/20 0.32
DNPEP Q9ULA0 1/20 0.32
CYP2D6 P10635 1/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL18649359 0.84 LMNA (0.42) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL21218130 0.84 LMNA (0.38) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL23469103 0.81 LMNA (0.44) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL12762826 0.78 LMNA (0.67) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL7770383 0.78 ALDH1A1 (0.33) CNR1ADRA1ATDP1KDM4ESMN1; SMN2
SCHEMBL20219223 0.77 LMNA (0.41) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL13519647 0.76 LMNA (0.50) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL21011610 0.75 LMNA (0.39) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL25917807 0.75 LMNA (0.39) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL21162472 0.74 CYP2D6 (0.31) CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed