SCHEMBL8924858

SCHEMBL8924858

CCCOc1c(C)c(C)c(O)c(C)c1CCl

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
LTA4H P09960 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
SCHEMBL8923286 0.90 THRA (0.36) LTA4H
SCHEMBL8923275 0.86 GAA (0.33)
SCHEMBL8923873 0.85 IMPDH2 (0.32)
SCHEMBL25329481 0.85 PTGS1 (0.32) PTGS1PTGS2LTA4H
SCHEMBL8960395 0.84 ADRA1D (0.30)
SCHEMBL25328718 0.82 LTA4H (0.36) PTGS1PTGS2LTA4H
SCHEMBL25327716 0.78 PTGS1 (0.32) PTGS1PTGS2LTA4H
SCHEMBL8924397 0.77 IMPDH2 (0.40)
SCHEMBL25328268 0.76 PTGS1 (0.33) PTGS1PTGS2LTA4H
SCHEMBL25329044 0.76 PTGS1 (0.33) PTGS1PTGS2LTA4H

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-5624961-A Benzylaminoethoxybenzene derivatives, production thereof and use thereof JAPAN TOBACCO INC. (JP) 1997-04-29 US disclosed
EP-0693474-A1 NOVEL BENZYLAMINOETHOXYBENZENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Toyo Boseki Kabushiki Kaisha (JP) 1996-01-24 EP disclosed