SCHEMBL10622011

SCHEMBL10622011

CCCCC(CC)(CCCN(C)C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.39
FDPS P14324 1/20 0.32
PAOX Q6QHF9 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
CYP1A2 P05177 1/20 0.32
HRH2 P25021 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 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
SCHEMBL6286232 0.87 FDPS (0.40) FDPSCYP4F2CYP4A11CYP1A2CES2
SCHEMBL29776297 0.83 CES2 (0.44) FDPSCYP4F2CYP4A11CES2
SCHEMBL28444332 0.83 FDPS (0.38) FDPSCYP4F2CYP4A11ALDH1A1CYP1A2
SCHEMBL6393379 0.82 FDPS (0.40) FDPSCYP4F2CYP4A11CYP1A2CES2
SCHEMBL17501645 0.81 CES2 (0.47) FDPSCES2
SCHEMBL4658843 0.81 CES2 (0.45) FDPSCYP4F2CYP4A11CES2
SCHEMBL21197507 0.79 OPRM1 (0.37)
SCHEMBL20746522 0.79 CES2 (0.48) FDPSCES2
SCHEMBL27450315 0.79 CES2 (0.48) FDPSCES2
SCHEMBL31351851 0.79 CES2 (0.48) FDPSCES2

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
US-4728337-A AFTERTREATMENT TO DYEING WITH ANIONIC DYES CIBA-GEIGY CORPORATION (US) 1988-03-01 US disclosed
US-4721512-A FINISHING LIQUID CIBA-GEIGY CORPORATION (US) 1988-01-26 US disclosed