SCHEMBL11580461

SCHEMBL11580461

CC=C(C)C(=O)OCCC(Br)Br

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
FAAH O00519 1/20 0.32
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL872902 0.83 CYP19A1 (0.41) ALOX15ALDH1A1
SCHEMBL3507005 0.83 CYP19A1 (0.41) ALOX15ALDH1A1
SCHEMBL872903 0.83 CYP19A1 (0.41) ALOX15ALDH1A1
SCHEMBL27008262 0.83 CYP2D6 (0.36) ALOX15THRBCYP2D6CYP2C19
SCHEMBL418569 0.82 THRB (0.41) ALDH1A1THRBCYP2C19
SCHEMBL2340826 0.82 THRB (0.41) ALDH1A1THRBCYP2C19
SCHEMBL3292506 0.82 ALOX15 (0.37) ALOX15FAAHALDH1A1CYP2D6CYP2C19
SCHEMBL3292504 0.82 ALOX15 (0.37) ALOX15FAAHALDH1A1CYP2D6CYP2C19
SCHEMBL1447880 0.79 THRB (0.52) ALOX15ALDH1A1THRBCYP2D6CYP2C19
SCHEMBL873122 0.79 ALOX15 (0.42) ALOX15FAAHTHRBCYP2D6CYP2C19

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
US-4119610-A Brominated acrylate dental compositions ARROYO DENTAL PRODUCTS CO. (US) 1978-10-10 US disclosed