SCHEMBL18458291

SCHEMBL18458291

Bc1ccc(C2(C3=CCCC=C3)CCCCCCCCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9717847 0.80 ALDH1A1 (0.31) ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL18769546 0.64 SIGMAR1 (0.31)
SCHEMBL11152421 0.59 ESR1 (0.65) ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL14106181 0.59
SCHEMBL20207882 0.59
SCHEMBL21668450 0.58 ESR2 (0.53) ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL19993214 0.56
SCHEMBL23198924 0.56 ALDH1A1 (1.00) ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL13379655 0.56 ESR2 (1.00) ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL14804301 0.56 ESR1 (0.60) ESR1ESR2ALDH1A1L3MBTL1

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-20170029618-A1 HIGH HEAT POLYCARBONATE COMPOSITIONS SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2017-02-02 US disclosed