SCHEMBL3838657

SCHEMBL3838657

CNc1ccc(N)c(CCCl)c1CCCl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.34
AOC1 P19801 1/20 0.31
AOC3 Q16853 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 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
SCHEMBL5133372 0.82 CYP3A4 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL7517167 0.80 CYP3A4 (0.33) ALDH1A1
SCHEMBL28432676 0.75 PRKCI (0.36) PRKCIAOC1AOC3KDM4EALDH1A1
SCHEMBL28058874 0.73 PRKCI (0.43) PRKCIKDM4EALDH1A1GLAGAA
SCHEMBL6535376 0.73 AOC1 (0.30) AOC1AOC3
SCHEMBL10881335 0.72 ALDH1A1 (0.46) KDM4EALDH1A1
SCHEMBL8445395 0.72 PRKCI (0.33) PRKCIKDM4E
SCHEMBL5082011 0.71 ALDH1A1 (0.35) PRKCIKDM4EALDH1A1GAA
SCHEMBL3674257 0.69 NOS2 (0.33)
SCHEMBL27909752 0.69 CYP3A4 (0.43) KDM4EALDH1A1

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-1037649-B1 POLYMERIC PRODRUGS OF AMINO- AND HYDROXYL-CONTAINING BIOACTIVE AGENTS ENZON INC (US) 2009-09-30 EP disclosed