SCHEMBL8405221

SCHEMBL8405221

Cc1cc(C)c(CC=CCl)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 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
SCHEMBL8405219 1.00 MAPT (0.36) MAPTNPSR1L3MBTL1POLBHRH3
SCHEMBL29099778 0.79 HRH3 (0.35) MAPTHRH3CYP11B1CYP11B2RAPGEF4
SCHEMBL1610966 0.77 HRH3 (0.34) HRH3CYP11B1CYP11B2RAPGEF4HTR1D
SCHEMBL900740 0.73 HRH3 (0.38) MAPTHRH3CYP11B1CYP11B2RAPGEF4
SCHEMBL22296029 0.73 HRH3 (0.38) MAPTHRH3CYP11B1CYP11B2RAPGEF4
SCHEMBL11761370 0.72 MAPT (0.34) MAPTNPSR1L3MBTL1POLB
SCHEMBL327402 0.71 GAA (0.40) MAPTNPSR1POLBHRH3CYP11B1
SCHEMBL1124861 0.71 HRH3 (0.36) MAPTHRH3CYP11B1CYP11B2RAPGEF4
SCHEMBL1610022 0.71 HRH3 (0.36) MAPTHRH3CYP11B1CYP11B2RAPGEF4
SCHEMBL10563769 0.71 SHBG (0.32) MAPTNPSR1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977419-A Process for the preparation of substituted phenylpropenes BAYER AKTIENGESELLSCHAFT (DE) 1999-11-02 US disclosed
EP-0676388-B1 Process for the preparation of phenylacetic acid derivatives and intermediate products BAYER AG (DE) 1999-07-14 EP disclosed
EP-0903332-A1 Process for preparing substituted phenylpropenen BAYER AG (DE) 1999-03-24 EP disclosed
EP-0903332-A1 Process for preparing substituted phenylpropenen BAYER AG (DE) 1999-03-24 EP disclosed
US-5756858-A Process for the preparation of substituted phenylacetic acid derivatives and novel intermediates BAYER AKTIENGESELLSCHAFT (DE) 1998-05-26 US disclosed
EP-0676388-A2 Process for the preparation of phenylacetic acid derivatives and intermediate products BAYER AG (DE) 1995-10-11 EP disclosed